Citation: Mao Xia HE, Feng ZHU, Da Cheng FENG, Zheng Ting CAI. The Study of Alcoholysis of 1, 2-Thiazetidine-1, 1-dioxide with Quantum Chemical Method[J]. Chinese Chemical Letters, ;2004, 15(6): 745-748. shu

The Study of Alcoholysis of 1, 2-Thiazetidine-1, 1-dioxide with Quantum Chemical Method

Institute of Theoretical Chemistry, Shandong University, Jinan 250100

Received Date: 13 May 2003

Fund Project: We gratefully acknowledge the support to this research from the National Natural Science Foundation of China (No. 20173032, 29973021) and Ph.D. Special Research Foundation of Chinese Education Department.

The alcoholysis mechanism of 1, 2-thiazetidine-1, 1-dioxide with methanol, in which the relatively stable product is sulfonate ester, has been investigated by quantum chemical method. Our calculations indicate the reaction for alcoholysis of 1, 2-thiazetidine-1, 1-dioxide proceeds via two possible mechanisms:concerted and stepwise. In the stepwise mechanism, two possible reaction pathways can be followed while only one possible reaction pathway can be followed in the concerted mechanism.
- 1, 2-Thiazetidine-1, 1-dioxide,
- alcoholysis,
- quantum chemical method
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