研究论文

钴催化1-三甲硅基-2-芳基乙炔的α位芳基化反应

  • 陈丽萍 ,
  • 马瑞 ,
  • 池建军 ,
  • 金彧帆 ,
  • 王清 ,
  • 汪洋 ,
  • 朱雪华 , * ,
  • 庞玉博 , *
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  • 苏州科技大学化学与生命科学学院 苏州 215009

收稿日期: 2026-03-31

  修回日期: 2026-05-24

  网络出版日期: 2026-06-11

基金资助

苏州科技大学科研启动费(332414501)

Cobalt-Catalyzed α-Arylation of 1-Trimethylsilyl-2-aryl Acetylene

  • Liping Chen ,
  • Rui Ma ,
  • Jianjun Chi ,
  • Yufan Jin ,
  • Qing Wang ,
  • Yang Wang ,
  • Xuehua Zhu , * ,
  • Yubo Pang , *
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  • School of Chemistry and Life Sciences, Suzhou University of Science and Technology, Suzhou 215009

Received date: 2026-03-31

  Revised date: 2026-05-24

  Online published: 2026-06-11

Supported by

Suzhou University of Science and Technology(332414501)

Copyright

© 2026 Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences

摘要

发展了一种二乙酰丙酮钴和双二苯基膦甲烷协同催化1-三甲硅基-2-芳基乙炔化学、区域和立体选择性的芳基化反应, 有效合成了具有多种官能团的1,2-芳基烯基硅类化合物. 该方法具有良好的官能团容忍性、中等至良好的收率、易于克级规模制备, 且产物中存在的烯基硅结构单元能够实现多种合成转化的优点. 同时, 该工作也开发了3,4-二氢- 1(2H)-异喹啉酮类化合物的新合成应用.

本文引用格式

陈丽萍 , 马瑞 , 池建军 , 金彧帆 , 王清 , 汪洋 , 朱雪华 , 庞玉博 . 钴催化1-三甲硅基-2-芳基乙炔的α位芳基化反应[J]. 有机化学, 2026 , 46(7) : 2760 -2769 . DOI: 10.6023/cjoc202603046

Abstract

A synergistic catalytic, chemo-, regio- and stereoselective arylation reaction of 1-trimethylsilyl-2-arylacetylene using cobalt diacetylacetonate and diphenylphosphine methane has been developed, effectively synthesizing 1,2-diaryl- vinylsilyl compounds with multiple functional groups. This method has the advantages of good functional group tolerance, moderate to good yield, easy preparation on a gram scale, and the presence of vinyl silicon structural units in the product can achieve multiple synthetic transformations. At the same time, this work also developed new synthetic applications of 3,4-dihydro-1(2H)-isoquinolinone compounds.

过渡金属催化的有机硼试剂对炔烃的加成反应已成为构建二取代或三取代烯烃的重要方法之一[1-2]. 在该类反应中, 选择性控制对于设计和开发具有合成价值的炔烃的芳基化反应至关重要. 迄今为止, 利用底物的位阻效应是实现不对称炔烃区域选择性加成反应的有效策略[3]. 其中, 在炔烃分子的一端引入硅基, 不仅能够有效解决有机硼试剂参与的炔烃芳基化反应中的区域选择性问题, 还为后续转化提供了便利, 显著提升了反应的应用价值[4]. 例如, 2004年, Michelet和Genêt课题组[5]报道在水/甲苯两相体系中, 采用铑催化剂可实现烷基三甲基硅基炔烃的立体专一性的芳基化反应; 然而在相同反应条件下, 对于芳基底物则观察到两种无法分离的区域异构体以1∶1的比例共存(Scheme 1, a). 2014年, 朱钢国课题组[6]首次实现了在温和条件下, 钯催化硼酸与三甲硅基乙炔的加成反应, 以优异的区域选择性和立体选择性实现了三甲硅基乙炔β位的芳基化(Scheme 1, b). 然而, 有机硼试剂对三甲基硅基乙炔α位的立体专一性加成反应, 至今仍是一项尚未攻克的目标. 所面临的主要挑战在于, 硅基的空间位阻效应阻碍了有机金属中间体对炔烃的迁移插入过程, 因而该反应难以实现.
图式1 炔基硅烷类化合物芳基化反应的研究现状以及本文的研究内容

Scheme 1 Current research progress of arylation reactions of alkynyl silane compounds and the research content of this article

钴的最外层电子排布为3d74s², 共包含9个价电子, 通常以+2或+3氧化态参与催化循环. 与贵金属相比, 钴更易经历单电子氧化还原反应路径, 这为实现新颖独特的反应性与选择性提供了可能. 2008年, 郑建鸿课题组[7]首次报道了钴催化下有机硼酸与炔烃的芳基化反 应. 此后, 钴催化的炔烃官能团化反应不断涌现[8-11]. 特别地, 2016年Ueda课题组[12]报道了在钴催化下, 邻甲氧羰基苯基硼酸与三甲硅基芳基炔烃的[3+2]环加成反应, 该反应具有优异的区域选择性, 为解决前述挑战提供了有益参考. 基于此, 我们设想借助钴催化体系实现1-三甲硅基-2-芳基乙炔α位的芳基化反应, 并尝试探讨钴催化反应选择性的调控机制(Scheme 1, c).

1 结果与讨论

以4-((三甲硅基)乙炔基)苯甲酸甲酯(1a)与4-甲氧羰基苯硼酸(2a)作为模板底物, Co(acac)2为催化剂, 1,2-双(二苯基膦)乙烷(dppe)为配体, 乙腈为溶剂, 氩气氛围下在80 ℃下反应18 h. 在此条件下, 以5%的收率得到加成产物3aa. 随后, 进一步考察了其他反应条件的影响. 首先尝试了反应温度的影响, 结果表明, 当反应温度提高至100 ℃时, 产物3aa的收率显著提升至56%(表1, Entry 2), 但同时生成了溶剂乙腈加成的副产物4aa, 两者的比例约为1∶1. 该反应表现出良好的区域和立体选择性, 未检测到Z/E选择性的问题出现. 继续升高温度至120 ℃, 产物3aa的收率无明显提升(表1, Entry 3). 接着, 考察了溶剂的影响. 结果显示, 除乙腈外, 四氢呋喃、醋酸异丙酯、N,N-二甲基乙酰胺、甲苯及乙醇等其他溶剂几乎均未得到目标产物(表1, Entries 4~8), 预示了乙腈可能不仅作为反应溶剂, 还在金属配位或氧化态调控中发挥关键作用. 之后, 对不同配体进行了筛选. 结果表明, 对于双膦配体, 当两个配位膦原子之间的距离较远时, 如使用1,3-双(二苯基膦)丙烷(dppp)或1,4-双(二苯基膦)丁烷(dppb), 副产物4aa的占比升高[13], 产物3aa的收率降低(表1, Entries 9~10). 值得注意的是, 使用双(二苯基膦)甲烷(dppm)时, 目标产物3aa的收率提高至63%, 且副产物4aa被完全抑制(表1, Entry 11). 最后, 将dppm的用量提高至20 mol%时, 产物3aa的收率进一步提升至78%(表1, Entry 12).
表1 反应条件优化a

Table 1 Optimization of reaction conditions

Entry Ligand
(equiv.)
Solvent Temp./℃ Yeildb/%
(3aa/4aa)
Z/E ratio
(3aa)
1 dppe (0.1) MeCN 80 5 >20/1
2 dppe (0.1) MeCN 100 56 (1/1) >20/1
3 dppe (0.1) MeCN 120 58 (1/1) >20/1
4 dppe (0.1) THF 100
5 dppe (0.1) IPAc 100
6 dppe (0.1) DMA 100 Trace
7 dppe (0.1) Toluene 100
8 dppe (0.1) EtOH 100
9 dppp (0.1) MeCN 100 50 (1/1.5) >20/1
10 dppb (0.1) MeCN 100 37 (1/2) >20/1
11 dppm (0.1) MeCN 100 63 >20/1
12 dppm (0.2) MeCN 100 78 >20/1

a Reaction conditions: 10 mol% Co(acac)2, 1a (0.2 mmol, 1.0 equiv.), 2a (0.4 mmol, 2.0 equiv.) in solvent (2.0 mL), 18 h. dppm: bis(diphenyl- phosphino)methane; dppe: 1,2-bis(diphenylphosphino)ethane; dppp: 1,3- bis(diphenylphosphino)propane; dppb: 1,4-bis(diphenylphosphino)buta- ne. b Isolated yield.

通过对反应条件的系统优化, 最终确定了最优反应条件: 以Co(acac)2 (10 mol%)为催化剂, dppm (20 mol%)为配体, 乙腈为溶剂, 反应温度为100 °C, 反应在氩气惰性氛围中进行. 在此条件下, 考察了部分炔烃底物的适用范围(Scheme 2). 实验结果表明, 炔烃芳基对位连有吸电子基团(如酯基3aa、氰基3ba)及供电子基团(如甲氧基3ca)时, 均能兼容于该反应体系, 其中含有吸电子基团的底物表现出更优的反应效果. 该催化体系亦能耐受炔烃芳基邻位的空间位阻效应, 如甲氧羰基3da、羟甲基3ea等基团的存在不影响反应进行. 值得注意的是, 当炔烃芳基邻位连有甲酰胺基团时, 反应收率明显提高. 例如, 在炔烃所连苯环上分别带有甲酰丙胺基(1f)、甲酰叔丁胺基(1g)和甲酰对甲苯胺基(1h)的底物反应中, 相应产物分离产率分别达到88%、81%和83%. 尽管甲酰胺基的作用机制尚不明确, 推测其可能作为导向基团, 通过羰基与Co(acac)2的相互作用, 促进与炔基的配位过程. 另外, 当炔烃芳基邻位连有复杂酰胺基团时, 该反应体系仍表现出良好的兼容性, 以55%的收率得到相应产物3ia. 此外, 炔基上存在杂芳烃取代基时, 如3-(2-甲氧羰基)噻吩和3-(2-氯)吡啶基, 该体系也展现出良好的反应活性, 分别以64%和76%的收率得到产物3ja与3ka. 该反应体系对不同硅基团亦表现出良好的耐受性, 例如三乙基硅基苯乙炔能够以52%的收率得到产物3la.
图式2 炔烃底物拓展

Scheme 2 Scope of 1-trimethylsilyl-2-arylacetylene

芳基硼酸是一类应用广泛的合成试剂. 以1f为炔烃底物, 对该催化体系中芳基硼酸的底物适用范围进行了考察(Scheme 3). 结果表明, 苯环对位上的供电子与吸电子取代基均可兼容, 以最高89%的收率得到目标产物(3fb~3fh). 总体而言, 含有吸电子基团的硼酸表现出优于富电子取代硼酸的反应结果. 多种含官能团的化合物在该反应体系中均表现出良好的兼容性, 包括卤代物(3fe、3ff)、氰基(3fg)、醚(3fb)、缺电子羰基化合物(3fi、3fj)、硝基(3fk)及三氟甲基(3fh)等. 此外, 杂芳基硼酸2l也能顺利参与该转化, 以58%的收率得到产物3al. 该反应同样适用于烯基硼酸, 如1,3-二烯基硅烷3fm的成功合成所示. 遗憾的是, 2-硝基苯硼酸、2,6-二氟苯硼酸等未能参与转化, 观察主要得到芳基硼酸质子解的产 物[14], 推测该反应体系无法容忍邻位连接吸电子基团的芳基硼酸.
图式3 芳基硼酸的兼容性考察

Scheme 3 Investigating the compatibility of arylboronic acids

在明确底物适用范围与选择性的基础上, 为进一步验证该钴催化1-三甲硅基-2-芳基乙炔芳基化反应的合成实用性, 开展了相关探索研究. 首先, 化合物3ca可顺利转化为烯基碘化物, 且双键构型得以保持(Scheme 4, a). 其次, 在克级规模下, 以83%的收率成功合成了苯环邻位带有甲酰丙胺基的炔烃化合物3fa, 结构中存在的多种官能团为后续衍生化提供了丰富的可能(Scheme 4, b). 例如, 在催化量Pd2(dba)3作用下, 3fa可顺利发生环化反应, 以92%的收率生成3,4-二氢-1(2H)-异喹啉酮类化合物6fa. 最后, 为探究该反应体系中钴催化的作用机制, 使用Tempo进行了自由基猝灭实验(Scheme 4, c), 结果表明该反应可能涉及自由基历程.
图式4 反应的衍生化和自由基猝灭实验

Scheme 4 Derivatives of reactions and mechanism study

基于上述实验结果及前期文献报道[13,15], 本文提出钴催化1-三甲硅基-2-芳基乙炔与硼酸发生区域选择性和立体选择性加成反应的合理机理(Scheme 5). 首先, 钴(II)物种与硼酸生成钴中间体A; 随后经消除过程形成芳基钴物种B. 有机金属钴中间体易发生单电子转移过程, 因而体系中的芳基钴物种B可能会转化为芳基自由基和一价钴中间体. 接着, 芳基自由基对炔烃加成生成烯基自由基中间体C. 推测该反应区域选择性的控制主要源于烯基自由基的稳定性: 芳基的共轭结构可稳定相邻的烯基自由基, 缺电子芳环的稳定作用更强, 这也可解释底物拓展中观察到的电子效应. 随后, 物种C与钴(I)中间体结合, 形成烯基钴中间体D. 最终, Co(II)—C键经水解生成二取代烯基硅类化合物, 同时再生钴中间体A. 此外, 现阶段亦不能完全排除芳基钴物种B对炔烃发生迁移插入反应的可能路径.
图式5 可能的反应历程

Scheme 5 Proposed reaction mechanism

2 结论

发展了一种使用市售的硼酸作为偶联剂, 钴催化的1-三甲硅基-2-芳基乙炔α位选择性的芳基化反应, 以良好的区域、化学和立体选择性实现了1,2-二芳基烯基硅类化合物的构建. 此类化合物不仅可以转化成烯基碘化物用于钯催化的偶联反应, 还以实现钯催化下分子内环化过程构建一类3,4-二氢-1(2H)-异喹啉酮类化合物. 自由基猝灭实验结果表明, 该反应可能经历芳基自由基对炔烃的加成过程.

3 实验部分

3.1 仪器与试剂

除1-三甲硅基-2-芳基乙炔底物根据相应的参考文献合成得到, 其余所有溶剂和试剂均购自商业供应商(毕得、安耐吉和adamas), 无需进一步纯化即可使用. 使用硅胶(300~400目)流动色谱法完成产品的快速柱色谱纯化. 1H NMR和13C NMR谱在Bruker Avance III HD 400 M核磁共振仪上测定, 以CDCl3(标准δH 7.26, δC 77.16)或C6D6(标准δH 7.16, δC 128.06)为氘代溶剂.

3.2 实验方法

3.2.1 1-三甲硅基-2-芳基乙炔底物(1a~1l)的制备

将Pd(PPh3)2Cl2 (1.0 mol%, 0.1 mmol)和CuI (2.0 mol%, 0.2 mmol)置于带有搅拌子干燥的50 mL圆底烧瓶中, 置换氮气. 然后, 加入芳基碘化物(10 mmol)、三甲硅基乙炔(11 mmol)和25 mL三乙胺/四氢呋喃混合溶液(V∶V=1∶4), 室温搅拌约1 h. 通过薄层色谱(TLC)检测, 经柱色谱[洗脱剂V(石油醚)∶V(乙酸乙酯)=20∶1]分离得到相应的产物1a~1k.
4-((三甲硅基)乙炔基)苯甲酸甲酯(1a): 白色固体, 产率90%. m.p. 49~51 ℃; 1H NMR (400 MHz, Chloroform-d) δ: 7.97 (d, J=8.4 Hz, 2H), 7.51 (d, J=8.4 Hz, 2H), 3.91 (s, 3H), 0.26 (s, 9H); 13C NMR (101 MHz, Chloroform-d) δ: 166.6, 132.0, 129.8, 129.5, 127.9, 104.2, 97.8, 52.4, 0.0. HRMS (ESI) calcd for C13H17O2Si [M+ H]+ 233.0992, found 233.1000.
4-((三甲基甲硅烷基)乙炔基)苯甲腈(1b): 白色固体, 产率94%. m.p. 88~90 ℃; 1H NMR (400 MHz, Chloroform-d) δ: 7.59 (d, J=8.6 Hz, 2H), 7.53 (d, J=7.9 Hz, 2H), 0.26 (s, 9H); 13C NMR (101 MHz, Chloroform-d) δ: 132.6, 132.1, 128.1, 118.6, 111.9, 103.1, 99.7, -0.1. HRMS (ESI) calcd for C12H14NSi [M+H]+ 200.0890, found 200.0899.
4-((三甲基甲硅烷基)乙炔基)苯甲醚(1c): 无色油状液体, 产率90%. 1H NMR (400 MHz, Chloroform-d) δ: 7.41 (d, J=8.8 Hz, 2H), 6.82 (d, J=8.8 Hz, 2H), 3.80 (s, 3H), 0.24 (s, 9H); 13C NMR (101 MHz, Chloroform-d) δ: 159.9, 133.6, 115.4, 113.9, 105.3, 92.6, 55.4, 0.2. HRMS (ESI) calcd for C12H17OSi [M+H]+ 205.1043, found 205.1052.
2-((三甲硅基)乙炔基)苯甲酸甲酯(1d): 棕色油状液体, 产率88%. 1H NMR (400 MHz, Chloroform-d) δ: 7.91~7.89 (m, 1H), 7.59~7.57 (m, 1H), 7.46~7.42 (m, 1H), 7.38~7.34 (m, 1H), 3.92 (s, 3H), 0.27 (s, 9H); 13C NMR (101 MHz, Chloroform-d) δ: 167.0, 134.7, 132.7, 131.6, 130.4, 128.3, 123.3, 103.4, 99.8, 52.1, 0.0. HRMS (ESI) calcd for C13H17O2Si [M+H]+ 233.0992, found 233.1000.
2-((三甲硅基)乙炔基)苯甲醇(1e): 棕色油状液体, 产率80%. 1H NMR (400 MHz, Chloroform-d) δ: 7.50~7.44 (m, 1H), 7.43~7.37 (m, 1H), 7.36~7.31 (m, 1H), 7.26~7.17 (m, 1H), 4.82 (s, 2H), 0.27 (s, 9H); 13C NMR (101 MHz, Chloroform-d) δ: 143.3, 132.5, 129.1, 127.5, 127.3, 121.2, 102.7, 99.7, 64.2, 0.1. HRMS (ESI) calcd for C12H17OSi [M+H]+ 205.1043, found 205.1051.
N-丙基-2-((三甲基甲硅烷基)乙炔基)苯甲酰胺(1f): 白色固体, 产率76%. m.p. 80~82 ℃; 1H NMR (400 MHz, Chloroform-d) δ: 8.16~8.07 (m, 1H), 7.54~7.52 (m, 1H), 7.46~7.34 (m, 1H), 3.48~3.43 (m, 2H), 1.83~1.50 (m, 2H), 1.01 (t, J=7.4 Hz, 3H), 0.28 (s, 9H); 13C NMR (101 MHz, Chloroform-d) δ: 165.9, 135.7, 134.2, 130.5, 129.3, 119.3, 103.8, 101.7, 100.1, 42.0, 22.9, 11.9, -0.1. HRMS (ESI) calcd for C12H17OSi [M+H]+ 260.1465, found 260.1472.
N-叔丁基-2-((三甲基甲硅烷基)乙炔基)苯甲酰胺 (1g): 白色固体, 产率75%. m.p. 58~60 ℃; 1H NMR (400 MHz, Chloroform-d) δ: 8.01~7.92 (m, 1H), 7.52~7.50 (m, 1H), 7.43~7.31 (m, 2H), 7.23 (s, 1H), 1.48 (s, 9H), 0.28 (s, 9H); 13C NMR (101 MHz, Chloroform-d) δ: 165.5, 137.0, 134.3, 130.1, 129.7, 129.2, 119.3, 103.5, 101.3, 52.1, 28.9, 0.0. HRMS (ESI) calcd for C16H24NOSi [M+H]+ 274.1622, found 274.1630.
N-对甲苯基-2-((三甲基甲硅烷基)乙炔基)苯甲酰胺 (1h): 白色固体, 产率81%. m.p. 76~78 ℃; 1H NMR (400 MHz, Chloroform-d) δ: 9.28 (s, 1H), 8.38~7.99 (m, 1H), 7.63~7.52 (m, 3H), 7.51~7.40 (m, 2H), 7.18 (d, J=8.1 Hz, 2H), 2.35 (s, 3H), 0.25 (s, 9H); 13C NMR (101 MHz, Chloroform-d) δ: 163.9, 135.9, 135.5, 134.3, 134.2, 130.9, 130.5, 129.7, 129.5, 120.4, 119.4, 103.3, 102.9, 21.1, 0.0. HRMS (ESI) calcd for C19H22NOSi [M+H]+ 308.1465, found 308.1472.
(2-((三甲基甲硅烷基)乙炔基)苯甲酰基)-L-丙氨酸甲酯(1i): 黄色油状液体, 产率78%. m.p. 148~150 ℃; 1H NMR (400 MHz, Chloroform-d) δ: 8.22 (d, J=7.2 Hz, 1H), 8.11~8.01 (m, 1H), 7.60~7.49 (m, 1H), 7.45~7.35 (m, 2H), 4.86~4.79 (m, 1H), 3.76 (s, 3H), 1.53 (d, J=7.2 Hz, 3H), 0.27 (s, 9H); 13C NMR (101 MHz, Chloroform-d) δ: 173.3, 165.4, 134.6, 134.4, 130.8, 130.3, 129.1, 119.8, 103.2, 102.3, 52.5, 49.0, 18.6, -0.2. HRMS (ESI) calcd for C16H22NO3Si [M+H]+ 304.1364, found 304.1373.
2-氯-3-(三甲基甲硅烷基)乙炔基)吡啶 (1j): 黄色油状液体, 产率85%. 1H NMR (400 MHz, Chloroform-d) δ: 8.32~8.30 (m, 1H), 7.79~7.77 (m, 1H), 7.20~7.17 (m, 1H), 0.28 (s, 9H); 13C NMR (101 MHz, Chloroform-d) δ: 152.7, 148.5, 141.8, 121.9, 120.5, 103.5, 99.3, -0.2. HRMS (ESI) calcd for C10H13NClSi [M+H]+ 210.0501, found 210.0509.
3-((三甲基甲硅烷基)乙炔基)噻吩-2-甲酸甲酯(1k): 黄色油状液体, 产率86%. 1H NMR (400 MHz, Chloroform-d) δ: 7.41 (d, J=5.1 Hz, 1H), 7.13 (d, J=5.1 Hz, 1H), 3.89 (s, 3H), 0.27 (s, 9H); 13C NMR (101 MHz, Chloroform-d) δ: 161.9, 138.7, 134.8, 132.9, 132.7, 130.4, 127.1, 101.3, 98.7, 52.2, 0.0. HRMS (ESI) calcd for C11H15O2SSi [M+H]+ 238.0484, found 238.0492.
将苯乙炔(10 mmol)和25 mL无水四氢呋喃置于带有搅拌子干燥的50 mL圆底烧瓶中, 置换氩气. 然后降温至0 ℃, 加入11 mL二异丙基胺基锂(1.0 mol/L)搅拌约20 min. 再加入三乙基氯硅烷(11 mmol)搅拌约1 h. 通过薄层色谱(TLC)检测, 经柱色谱分离[洗脱剂V(石油醚)∶V(乙酸乙酯)=100∶1]得到1-三乙硅基-2-苯乙炔(1l), 黄色油状液体, 产率95%. 1H NMR (400 MHz, Chloroform-d) δ: 7.53~7.42 (m, 2H), 7.32~7.27 (m, 3H), 1.06 (t, J=7.9 Hz, 9H), 0.69 (d, J=7.9 Hz, 6H); 13C NMR (101 MHz, Chloroform-d) δ: 132.2, 128.5, 128.3, 123.5, 106.5, 91.7, 7.7, 4.6.

3.2.2 芳基化反应的一般程序

向干燥的密封管中加入Co(acac)2 (10 mol%)、dppm (20 mol%)、0.2 mmol的炔烃1a~1l和0.4 mmol的硼酸2a~2n. 混合物被抽真空并用氩气吹扫三次, 再将2.0 mL乙腈加入到密封管中. 将深红色反应混合物在100 ℃下搅拌18 h, 然后通过硅藻土过滤, 二氯甲烷洗涤. 最后, 将滤液浓缩, 残余物在硅胶柱上用石油醚/乙酸乙酯作为洗脱剂纯化, 得到所需的加成产物3aa~3la和3fa~3fn.
4,4'-(1-(三甲硅基)乙烯-1,2-二基)-(Z)-二苯甲酸二甲酯(3aa): 白色固体, 产率78%. m.p. 114~116 ℃; 1H NMR (400 MHz, Benzene-d6) δ: 8.20 (d, J=8.4 Hz, 2H), 7.26 (s, 1H), 7.22~7.16 (m, 4H), 6.76 (d, J=8.6 Hz, 2H), 3.55 (s, 3H), 3.30 (s, 3H), 0.03 (s, 9H); 13C NMR (101 MHz, C6D6) δ: 166.8, 159.9, 152.8, 146.1, 145.4, 132.2, 130.2, 123.0, 127.7, 113.8, 54.8, 51.6, 1.0. HRMS (ESI) calcd for C21H25O4Si [M+H]+ 369.1517, found 369.1521.
(Z)-4-(2-(4-氰基苯基)-1-(三甲硅基)乙烯基)苯甲酸甲酯(3ba): 黄色固体, 产率67%. m.p. 105~107 ℃; 1H NMR (400 MHz, Benzene-d6) δ: 8.18 (d, J=8.3 Hz, 2H), 7.04 (d, J=8.3 Hz, 2H), 6.94 (d, J=8.2 Hz, 2H), 6.87 (s, 1H), 6.81 (d, J=8.0 Hz, 2H), 3.55 (s, 3H), -0.17 (s, 9H); 13C NMR (101 MHz, C6D6) δ: 166.6, 151.6, 149.5, 143.9, 143.8, 131.8, 130.1, 129.1, 128.9, 127.3, 118.8, 111.8, 51.7, 0.7. HRMS (ESI) calcd for C20H21NO2SiNa [M+ Na]+ 358.1234, found 358.1237.
(Z)-4-(2-(4-甲氧基苯基)-1-(三甲硅基)乙烯基)苯甲酸甲酯(3ca): 黄色油状液体, 产率53%. 1H NMR (400 MHz, Benzene-d6) δ: 8.20 (d, J=8.4 Hz, 2H), 7.26 (s, 1H), 7.22~7.16 (m, 4H), 6.76 (d, J=8.6 Hz, 2H), 3.55 (s, 3H), 3.30 (s, 3H), 0.03 (s, 9H); 13C NMR (101 MHz, C6D6) δ: 166.8, 159.9, 152.8, 146.1, 145.4, 132.2, 130.2, 123.0, 127.7, 113.8, 54.8, 51.6, 1.0. HRMS (ESI) calcd for C20- H25O3Si [M+H]+ 341.1568, found 341.1565.
(Z)-2-(2-(4-(甲氧羰基)苯基)-2-(三甲硅基)乙烯基)苯甲酸甲酯(3da): 白色固体, 产率80%. m.p. 58~60 ℃; 1H NMR (400 MHz, Chloroform-d) δ: 8.08~7.98 (m, 3H), 7.61 (s, 1H), 7.55~7.51 (m, 1H), 7.44~7.34 (m, 4H), 3.95 (s, 3H), 3.93 (s, 3H), -0.15 (s, 9H); 13C NMR (101 MHz, Chloroform-d) δ: 167.4, 167.2, 152.3, 146.6, 143.6, 141.9, 132.0, 130.9, 130.7, 129.6, 128.9, 127.8, 127.7, 127.4, 52.2, 52.1, 0.7. HRMS (ESI) calcd for C21H24O4- SiNa [M+Na]+ 391.1336, found 391.1342.
(Z)-4-(2-(2-(羟甲基)苯基)-1-(三甲硅基)乙烯基)苯甲酸甲酯(3ea): 黄色油状液体, 产率71%. 1H NMR (400 MHz, Chloroform-d) δ: 8.07~7.97 (m, 2H), 7.45 (d, J=7.4 Hz, 1H), 7.39~7.34 (m, 1H), 7.33 (s, 1H), 7.31~7.24 (m, 4H), 4.77 (s, 2H), 3.93 (s, 3H), -0.14 (s, 9H); 13C NMR (101 MHz, CDCl3) δ: 167.3, 152.0, 148.1, 143.6, 138.5, 138.2, 130.0, 129.6, 128.3, 128.0, 127.4, 127.3, 127.1, 63.5, 52.2, 0.5. HRMS (ESI) calcd for C20H25O3Si [M+H]+ 341.1568, found 341.1572.
(Z)-4-(2-(2-(甲酰丙胺基)苯基)-1-(三甲硅基)乙烯基)苯甲酸甲酯(3fa): 白色固体, 产率88%. m.p. 84~86 ℃; 1H NMR (400 MHz, Benzene-d6) δ: 8.17 (d, J=8.3 Hz, 2H), 7.61 (s, 1H), 7.45 (d, J=7.7 Hz, 1H), 7.36 (d, J=8.3 Hz, 2H), 7.21 (d, J=7.5 Hz, 1H), 7.10 7.03 (m, 1H), 7.00 (t, J=7.5 Hz, 1H), 5.42 (s, 1H), 3.52 (s, 3H), 3.20 (q, J=7.2, 6.7 Hz, 2H), 1.31 (q, J=7.3 Hz, 2H), 0.71 (t, J=7.4 Hz, 3H), -0.07 (s, 9H); 13C NMR (101 MHz, Benzene-d6) δ: 167.7, 166.7, 152.0, 146.2, 145.9, 138.8, 135.9, 130.4, 130.1, 129.7, 128.7, 128.0, 127.7, 51.6, 41.7, 23.3, 11.6, 0.7. HRMS (ESI) calcd for C23H30NO3Si [M+H]+ 396.1990, found 396.1993.
(Z)-4-(2-(2-(甲酰叔丁胺基)苯基)-1-(三甲硅基)乙烯基)苯甲酸甲酯(3ga): 黄色油状液体, 产率81%. 1H NMR (400 MHz, Benzene-d6) δ: 8.18 (d, J=8.3 Hz, 2H), 7.54~7.52 (m, 1H), 7.50 (s, 1H), 7.36 (d, J=8.4 Hz, 2H), 7.20~7.16 (m, 1H), 7.07~6.97 (m, 2H), 5.43 (s, 1H), 3.53 (s, 3H), 1.32 (s, 9H), -0.06 (s, 9H); 13C NMR (101 MHz, C6D6) δ: 167.5, 166.7, 151.9, 146.4, 145.6, 138.1, 137.0, 130.3, 130.1, 129.4, 128.8, 128.0, 127.6, 51.6, 51.5, 28.9, 0.7. HRMS (ESI) calcd for C24H32NO3Si [M+H]+ 410.2146, found 410.2150.
(Z)-4-(2-(2-(甲酰对甲苯胺基)苯基)-1-(三甲硅基)乙烯基)苯甲酸甲酯(3ha): 白色固体, 产率83%. m.p. 108~110 ℃; 1H NMR (400 MHz, Chloroform-d) δ: 7.96 (d, J=8.3 Hz, 2H), 7.87~7.78 (m, 2H), 7.57~7.41 (m, 5H), 7.39~7.36 (m, 1H), 7.24 (d, J=8.3 Hz, 2H), 7.19 (d, J=8.1 Hz, 2H), 3.91 (s, 3H), 2.36 (s, 3H), -0.07 (s, 9H); 13C NMR (101 MHz, CDCl3) δ: 167.2, 166.1, 151.3, 148.3, 144.6, 137.9, 135.5, 134.8, 134.5, 130.6, 130.5, 129.9, 129.7, 128.6, 128.4, 128.1, 127.2, 119.9, 52.2, 21.1, 0.7. HRMS (ESI) calcd for C27H30NO2Si [M+H]+ 428.2041, found 428.2043.
(S,Z)-4-(2-(2-((1-甲氧基-1-氧代丙-2-基)胺基甲酰基)苯基)-1-(三甲硅基)乙烯基)苯甲酸甲酯(3ia): 黄色油状液体, 产率55%. 1H NMR (400 MHz, Benzene-d6) δ: 8.29 (d, J=8.4 Hz, 2H), 7.87~7.85 (m, 1H), 7.66 (s, 1H), 7.51 (d, J=8.3 Hz, 2H), 7.33~7.24 (m, 1H), 7.20~7.09 (m, 2H), 6.78 (d, J=7.1 Hz, 1H), 4.95~4.88 (m, 1H), 3.63 (s, 3H), 3.31 (s, 3H), 1.38 (d, J=7.2 Hz, 3H), 0.07 (s, 9H); 13C NMR (101 MHz, Benzene-d6) δ: 173.5, 167.2, 166.8, 151.9, 147.0, 145.6, 138.8, 134.6, 130.6, 130.3, 130.0, 128.7, 128.7, 128.2, 127.7, 51.9, 51.6, 49.0, 18.6, 0.6. HRMS (ESI) calcd for C24H30NO5Si [M+H]+ 440.1888, found 440.1895.
(Z)-4-(2-(2-氯吡啶-3-基)-1-(三甲硅基)乙烯基)苯甲酸甲酯(3ja): 黄色油状液体, 产率64%. 1H NMR (400 MHz, Benzene-d6) δ: 8.18 (d, J=8.3 Hz, 2H), 8.19~8.00 (m, 1H), 7.18 (d, J=8.4 Hz, 2H), 7.12~7.09 (m, 1H), 7.00 (s, 1H), 6.47~6.44 (m, 1H), 3.55 (s, 3H), -0.18 (s, 9H); 13C NMR (101 MHz, C6D6) δ: 166.6, 151.2, 151.0, 149.5, 149.0, 141.0, 138.6, 134.6, 130.1, 129.0, 127.4, 121.8, 51.7, 0.4. HRMS (ESI) calcd for C18H21NClO2Si [M+H]+ 346.1025, found 346.1032.
(Z)-3-(2-(4-(甲氧羰基)苯基)-2-(三甲硅基)乙烯基)噻吩-2-甲酸甲酯(3ka): 黄色油状液体, 产率76%. 1H NMR (400 MHz, Chloroform-d) δ: 8.01 (d, J=8.3 Hz, 2H), 7.47 (d, J=5.0 Hz, 1H), 7.38 (s, 1H), 7.33 (d, J=8.3 Hz, 2H), 7.10~7.09 (m, 1H), 3.92 (s, 3H), 3.91 (s, 3H), -0.06 (s, 9H); 13C NMR (101 MHz, CDCl3) δ: 167.3, 162.7, 152.1, 147.0, 146.9, 139.9, 131.2, 130.1, 129.7, 127.9, 127.3, 52.2, 52.2, 0.5. HRMS (ESI) calcd for C19- H23SO4Si [M+H]+ 375.1081, found 375.1088.
(Z)-4-(2-苯基-1-(三乙硅基)乙烯基)苯甲酸甲酯(3la): 黄色油状液体, 产率52%. 1H NMR (400 MHz, Benzene-d6) δ: 8.19 (d, J=8.3 Hz, 2H), 7.46~7.42 (m, 1H), 7.26 (d, J=15.5 Hz, 2H), 7.19~7.10 (m, 2H), 7.09~6.99 (m, 2H), 3.55 (s, 3H), 0.82 (t, J=7.9 Hz, 9H), 0.46 (q, J=7.9 Hz, 6H); 13C NMR (101 MHz, C6D6) δ: 166.8, 152.8, 147.3, 144.9, 139.9, 133.4, 133.3, 133.2, 129.9, 128.6, 128.2, 51.6, 7.82, 5.2. HRMS (ESI) calcd for C22- H29O2Si [M+H]+ 353.1932, found 353.1937.
(Z)-2-(2-(4-甲氧基苯基)-2-(三甲硅基)乙烯基)苯甲酰正丙胺(3fb): 黄色油状液体, 产率64%. 1H NMR (400 MHz, Chloroform-d) δ: 7.81~7.79 (m, 1H), 7.42 (s, 1H), 7.45~7.35 (m, 2H), 7.32~7.28 (m, 1H), 7.13 (d, J=8.6 Hz, 2H), 6.89 (d, J=8.7 Hz, 2H), 6.26 (s, 1H), 3.83 (s, 3H), 3.48~3.43 (m, 2H), 1.89~1.47 (m, 2H), 0.97 (t, J=7.4 Hz, 3H), -0.11 (s, 9H); 13C NMR (101 MHz, CDCl3) δ: 168.3, 158.3, 147.9, 143.7, 138.7, 138.1, 134.4, 130.6, 130.1, 128.7, 128.1, 128.0, 113.8, 55.4, 42.0, 23.1, 11.7, 0.8. HRMS (ESI) calcd for C22H29NO2Si [M+H]+ 368.2041, found 368.2045.
(Z)-2-(2-(4-甲基苯基)-2-(三甲硅基)乙烯基)苯甲酰正丙胺(3fc): 黄色油状液体, 产率76%. 1H NMR (400 MHz, Chloroform-d) δ: 7.82~7.80 (m, 1H), 7.47~7.35 (m, 3H), 7.32~7.28 (m, 1H), 7.15 (d, J=7.9 Hz, 2H), 7.09 (d, J=8.1 Hz, 2H), 6.29 (s, 1H), 3.48~3.43 (m, 2H), 2.36 (s, 3H), 1.68~1.59 (m, 3H), 0.97 (t, J=7.4 Hz, 3H), -0.10 (s, 9H); 13C NMR (101 MHz, CDCl3) δ: 168.2, 148.4, 143.8, 143.3, 138.0, 135.9, 134.3, 130.5, 130.1, 129.0, 128.8, 128.0, 126.9, 41.9, 23.1, 21.2, 11.7, 0.7. HRMS (ESI) calcd for C22H29NOSi [M+H]+ 352.2091, found 352.2098.
(Z)-2-(2-苯基-2-(三甲硅基)乙烯基)苯甲酰正丙胺(3fd): 黄色油状液体, 产率75%. 1H NMR (400 MHz, Benzene-d6) δ: 7.65~7.56 (m, 2H), 7.41~7.31 (m, 2H), 7.27~7.18 (m, 3H), 7.13~6.95 (m, 3H), 5.64 (s, 1H), 3.28~3.19 (m, 2H), 1.34 (q, J=7.2 Hz, 2H), 0.72 (t, J=7.4 Hz, 3H), -0.03 (s, 9H); 13C NMR (101 MHz, C6D6) δ: 167.7, 147.3, 147.0, 145.1, 138.9, 135.8, 130.5, 129.7, 128.5, 127.6, 126.4, 41.7, 23.4, 11.6, 0.8. HRMS (ESI) calcd for C19H23SO4Si [M+H]+ 375.1081, found 375.1088.
(Z)-2-(2-(4-氯苯基)-2-(三甲硅基)乙烯基)苯甲酰正丙胺(3fe): 黄色固体, 产率67%. m.p. 78~80 ℃; 1H NMR (400 MHz, Chloroform-d) δ: 7.70 (d, J=6.0 Hz, 1H), 7.47~7.35 (m, 3H), 7.33~7.27 (m, 3H), 7.13 (d, J=8.4 Hz, 2H), 6.09 (s, 1H), 3.46~3.41 (m, 2H), 1.73~1.52 (m, 2H), 0.97 (t, J=7.4 Hz, 3H), -0.11 (s, 9H); 13C NMR (101 MHz, CDCl3) δ: 168.4, 146.7, 144.9, 144.7, 138.0, 134.7, 132.1, 130.4, 130.1, 128.5, 128.4, 128.2, 128.1, 41.9, 23.1, 11.7, 0.7. HRMS (ESI) calcd for C21H27NClOSi [M+H]+ 372.1545, found 372.1552.
(Z)-2-(2-(4-溴苯基)-2-(三甲硅基)乙烯基)苯甲酰正丙胺(3ff): 黄色固体, 产率61%. m.p. 85~87 ℃; 1H NMR (400 MHz, Chloroform-d) δ: 7.79~7.64 (m, 1H), 7.48~7.35 (m, 5H), 7.30 (d, J=7.4 Hz, 1H), 7.08 (d, J=8.4 Hz, 2H), 6.08 (s, 1H), 3.44 (q, J=6.7 Hz, 2H), 1.67~1.58 (m, 2H), 0.97 (t, J=7.4 Hz, 3H), -0.12 (s, 9H); 13C NMR (101 MHz, CDCl3) δ: 168.3, 146.7, 145.4, 144.7, 138.0, 134.8, 131.4, 130.4, 130.1, 128.9, 128.2, 128.1, 120.2, 41.9, 23.1, 11.7, 0.7. HRMS (ESI) calcd for C21H27- NBrOSi [M+H]+ 416.1040, found 416.1044.
(Z)-2-(2-(4-氰基苯基)-2-(三甲硅基)乙烯基)苯甲酰正丙胺(3fg): 黄色油状液体, 产率81%. 1H NMR (400 MHz, Chloroform-d) δ: 7.63~7.60 (m, 3H), 7.49 (s, 1H), 7.46~7.42 (m, 1H), 7.40~7.36 (m, 1H), 7.35~7.29 (m, 3H), 5.98 (s, 1H), 3.46~3.41 (m, 2H), 1.68~1.59 (m, 2H), 0.98 (t, J=7.4 Hz, 3H), -0.11 (s, 9H); 13C NMR (101 MHz, CDCl3) δ: 168.4, 151.9, 146.0, 145.7, 138.0, 135.0, 132.2, 130.4, 130.1, 128.2, 128.1, 127.5, 119.3, 109.8, 41.9, 23.2, 11.6, 0.6. HRMS (ESI) calcd for C22H27N2OSi [M+H]+ 363.1887, found 363.1891.
(Z)-2-(2-(4-三氟甲基苯基)-2-(三甲硅基)乙烯基)苯甲酰正丙胺(3fh): 黄色油状液体, 产率79%. 1H NMR (400 MHz, Chloroform-d) δ: 7.68~7.66 (m, 1H), 7.62~7.54 (m, 2H), 7.47 (s, 1H), 7.46~7.36 (m, 2H), 7.35~7.28 (m, 3H), 6.06 (s, 1H), 3.47~3.42 (m, 2H), 1.68~1.59 (m, 2H), 0.98 (t, J=7.4 Hz, 3H), -0.11 (s, 9H); 13C NMR (101 MHz, Chloroform-d) δ: 168.4, 150.4, 146.6, 145.4, 137.9, 134.9, 130.4, 130.1, 128.4 (q, J=32.5 Hz), 128.2, 128.0, 127.5, 125.2 (q, J=3.7 Hz), 124.5 (q, J=271.8 Hz), 41.9, 23.2, 11.7, 0.6. HRMS (ESI) calcd for C22H27NOF3Si [M+H]+ 406.1809, found 406.1813.
(Z)-3-(2-(2-(甲酰丙胺基)苯基)-1-(三甲硅基)乙烯基)苯甲酸甲酯(3fi): 黄色油状液体, 产率86%. 1H NMR (400 MHz, Chloroform-d) δ: 7.94~7.91 (m, 1H), 7.86 (s, 1H), 7.77~7.75 (m, 1H), 7.50~7.36 (m, 5H), 7.35~7.30 (m, 1H), 6.17 (s, 1H), 3.93 (s, 3H), 3.54~3.34 (m, 2H), 1.84~1.43 (m, 2H), 0.98 (t, J=7.4 Hz, 3H), -0.10 (s, 9H); 13C NMR (101 MHz, CDCl3) δ: 168.2, 167.2, 147.5, 146.7, 144.9, 137.6, 134.7, 131.7, 130.4, 130.2, 130.1, 128.5, 128.4, 128.2, 128.1, 127.5, 52.3, 41.9, 23.1, 11.7, 0.6. HRMS (ESI) calcd for C23H30NO3Si [M+H]+ 396.1990, found 396.1993.
(Z)-2-(2-(3-甲酰基苯基)-2-(三甲硅基)乙烯基)苯甲酰丙胺(3fj): 黄色油状液体, 产率82%. 1H NMR (400 MHz, Chloroform-d) δ: 10.04 (s, 1H), 7.77~7.75 (m, 1H), 7.73~7.66 (m, 2H), 7.55~7.47 (m, 3H), 7.46~7.42 (m, 1H), 7.40~7.38 (m, 1H), 7.37~7.31 (m, 1H), 6.10 (s, 1H), 3.48~3.43 (m, 2H), 1.65 (q, J=7.2 Hz, 2H), 0.98 (t, J=7.4 Hz, 3H), -0.10 (s, 9H); 13C NMR (101 MHz, CDCl3) δ: 192.6, 168.4, 147.5, 146.6, 145.4, 137.8, 136.4, 134.9, 133.4, 130.4, 130.1, 129.0, 128.2, 128.1, 128.1, 127.8, 41.9, 23.1, 11.7, 0.6. HRMS (ESI) calcd for C22H28- NO2Si [M+H]+ 366.1884, found 366.1892.
(Z)-2-(2-(3-硝基苯基)-2-(三甲硅基)乙烯基)苯甲酰丙胺 (3fk): 黄色固体, 产率89%. m.p. 86~88 ℃; 1H NMR (400 MHz, Chloroform-d) δ: 8.11~8.08 (m, 1H), 8.05 (t, J=2.0 Hz, 1H), 7.66~7.63 (m, 1H), 7.57~7.55 (m, 1H), 7.53~7.48 (m, 2H), 7.46~7.43 (m, 1H), 7.41~7.39 (m, 1H), 7.38~7.32 (m, 1H), 6.02 (s, 1H), 3.85~3.26 (m, 2H), 1.66 (q, J=7.3 Hz, 2H), 0.99 (t, J=7.4 Hz, 3H), -0.09 (s, 9H); 13C NMR (101 MHz, CDCl3) δ: 168.4, 148.3, 148.1, 146.2, 145.3, 137.7, 135.0, 133.6, 130.3, 130.1, 129.3, 128.3, 127.8, 122.0, 121.2, 41.9, 23.2, 11.6, 0.6. HRMS (ESI) calcd for C21H27N2O3Si [M+H]+ 383.1786, found 383.1790.
(Z)-2-(2-(2-氟吡啶-3-基)-2-(三甲硅基)乙烯基)苯甲酰丙胺 (3fl): 黄色油状液体, 产率58%. 1H NMR (400 MHz, Chloroform-d) δ: 8.11 (d, J=4.9 Hz, 1H), 7.76~7.74 (m, 1H), 7.68~7.63 (m, 1H), 7.51 (s, 1H), 7.49~7.40 (m, 2H), 7.40~7.32 (m, 1H), 6.22 (s, 1H), 3.53~3.35 (m, 2H), 1.69~1.59 (m, 2H), 0.97 (t, J=7.4 Hz, 3H), -0.10 (s, 9H); 13C NMR (101 MHz, Chloroform-d) δ: 168.0, 161.3, 159.0, 147.3, 145.6, 145.4, 140.4 (d, J=3.0 Hz), 140.0 (d, J=5.2 Hz), 137.4, 134.5, 130.3 (d, J=3.0 Hz), 128.5, 128.4, 121.8 (d, J=4.2 Hz), 42.0, 23.1, 11.6, 0.2 (d, J=1.6 Hz). HRMS (ESI) calcd for C20H26N2OFSi [M+H]+ 357.1793, found 357.1799.
2-((1Z,3E)-4-苯基-2-(三甲硅基)丁-1,3-二烯-1-基)苯甲酰丙胺(3fm): 黄色油状液体, 产率76%. 1H NMR (400 MHz, Benzene-d6) δ: 7.81~7.73 (m, 1H), 7.71 (s, 1H), 7.33 (d, J=7.4 Hz, 2H), 7.17~7.12 (m, 3H), 7.09~6.98 (m, 4H), 6.79 (d, J=16.0 Hz, 1H), 5.72 (s, 1H), 3.36~3.08 (m, 2H), 1.31 (q, J=7.2 Hz, 2H), 0.71 (t, J=7.4 Hz, 3H), 0.07 (s, 9H); 13C NMR (101 MHz, C6D6) δ: 167.6, 143.5, 142.9, 138.6, 138.1, 136.0, 134.6, 130.6, 130.4, 129.63, 129.0, 128.8, 127.7, 126.8, 41.8, 23.3, 11.6, 0.7. HRMS (ESI) calcd for C23H30NO3Si [M+H]+ 396.1990, found 396.1995.

3.2.3 硅基转化碘的具体步骤

参考文献[16], 向干燥的密封管中加入Ag2CO3 (30 mol%)、NIS (2.0 equiv.)、0.2 mmol的烯基硅3ca和1.0 mL六氟异丙醇. 该混合物在0 ℃下搅拌20 min, 然后通过硅藻土过滤, 二氯甲烷洗涤. 最后将滤液浓缩, 残余物在硅胶柱上用石油醚/乙酸乙酯作为洗脱剂纯化, 得到(Z)-4-(1-碘-2-(4-甲氧基苯基)乙烯基)苯甲酸甲酯(5ca), 棕色固体, 产率96%. m.p. 50~52 ℃; 1H NMR (400 MHz, Chloroform-d) δ: 8.01 (d, J=8.5 Hz, 2H), 7.64~7.62 (m, 4H), 7.07 (s, 1H), 6.95 (d, J=8.8 Hz, 2H), 3.93 (s, 3H), 3.85 (s, 3H); 13C NMR (101 MHz, Chloroform-d) δ: 166.7, 159.9, 148.8, 138.4, 130.5, 130.4, 129.9, 129.7, 128.9, 113.7, 99.2, 55.5, 52.4. HRMS (ESI) calcd for C17H16IO3 [M+H]+ 395.0139, found 395.0139.

3.2.4 克级放大实验和分子内环化衍生化

向干燥的圆底烧瓶中加入Co(acac)2 (10 mol%)、dppm (20 mol%)、3 mmol的炔烃1f和4.5 mmol的4-甲氧羰基苯硼酸2a. 混合物被抽真空并用氩气吹扫三次, 再将30 mL乙腈加入到圆底烧瓶中. 将深红色反应混合物在100 ℃下搅拌18 h, 然后通过硅藻土过滤, 二氯甲烷洗涤. 最后将滤液浓缩, 残余物在硅胶柱上用石油醚/乙酸乙酯作为洗脱剂纯化, 以83%的收率得到所需的0.98 g加成产物3fa.
向干燥的密封管中加入Pd2(dba)3 (2.5 mol%)、TBAF (2.0 equiv.)、0.2 mmol的烯基硅3fa和1 mL四氢呋喃. 该混合物在35 ℃下搅拌24 h, 然后通过硅藻土过滤, 二氯甲烷洗涤. 最后, 将滤液浓缩, 残余物在硅胶柱上用石油醚/乙酸乙酯作为洗脱剂纯化, 得到4-(1-氧代-2-丙基-1,2,3,4-四氢异喹啉-3-基)苯甲酸甲酯(6ca), 黄色油状液体, 产率92%. 1H NMR (400 MHz, Chloroform-d) δ: 7.92 (d, J=8.3 Hz, 2H), 7.82~7.69 (m, 1H), 7.47~7.34 (m, 2H), 7.13 (d, J=8.2 Hz, 2H), 6.97~6.83 (m, 1H), 4.83~4.80 (m, 1H), 4.08~4.01 (m, 1H), 3.90 (s, 3H), 3.45~3.41 (m, 1H), 3.22~3.15 (m, 1H), 2.95~2.89 (m, 1H), 1.79~1.69 (m, 1H), 1.67~1.60 (m, 1H), 0.94 (t, J=7.4 Hz, 3H); 13C NMR (101 MHz, Chloroform-d) δ: 168.3, 167.0, 144.4, 141.4, 132.5, 131.1, 129.8, 129.7, 129.1, 128.5, 123.8, 122.8, 59.7, 52.3, 42.0, 38.4, 21.8, 11.6. HRMS (ESI) calcd for C20H22NO3 [M+H]+ 324.1594, found 324.1599.

3.2.5 自由基猝灭实验的具体步骤

向干燥的密封管中加入Co(acac)2 (10 mol%)、dppm (20 mol%)、TEMPO (1.5 equiv.)、0.2 mmol的炔烃1a和0.4 mmol的4-甲氧羰基苯硼酸2a. 混合物被抽真空并用氩气吹扫三次, 再将2.0 mL乙腈加入到密封管中. 将深红色反应混合物在100 ℃下搅拌18 h, 然后通过气相色谱仪检测得到约3%的加成产物3aa.
辅助材料(Supporting Information) 化合物1a~1l和3aa~3la及3ab~3an的1H NMR以及13C NMR谱图.这些材料可以免费从本刊网站(http://sioc-journal.cn/)上下载.
(Li, L.)
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