关键词: 噻唑P, 四氢化物, 电荷分布, 噻唑酮P, 构型, 反应机理, 电子结构, 合成, 最优化, 硫酮

Aminoalcohols R-3-methyl-2-amino-butyl alcohol 2a [α]^2^0~D -15.18° , S-3-methyl-2-amino-butyl alcohol 2b [α]^2^0~D +16.96° were prepared by the reduction of D or L-valine methyl ester. The reduction was carried out the KBH~4 and CaCl~2. R-4- isopropylthiazolidine-2-thione 3a, [α]^2^0~D +37.00° and S-4- isopropylthiazolidine-2-thione 3b, [α]^2^0~D -36.90° were obtained by refluxing a solution of R or S-3-methyl-2-aminobutylalcohol, CS~2 and KOH. The R-N-cinnamyl-4-isopropyl thiazolidine-2-thione 4a, [α] ^2^0~D -169.72° and S-N-cinnamyl-4-isopropylthiazolidine-2- thione 4b, [α]^2^0~D +173.20° was easily prepared by dehydro chlorination between cinnamyl chloride and R or S-4-isopropylthia- zolidine-2- thione under the presence of Et~3N. The electronic structure of products and reactants were studied by molecular orbital PM3 method. The reaction enthalpies and optimized configuration for products were obtained.

Key words: CHARGE DISTRIBUTION, THIAZOLE P, REACTION MECHANISM, CONFIGURATION, SYNTHESIS, OPTIMIZATION, ELECTRONIC STRUCTURE, TETRAHYDRO- COMPOUNDS, THIAZOLONE P, THIOKETONE