REGIOSELECTIVITY OF BIOMIMETIC REDUCTION OF TETRAHYDROXYNAPHTHALENE - LOCATION OF TRANSITION STRUCTURES FOR HYDRIDE ADDITION WITH THEORETICAL CALCULATIONS

被引：2

作者：

ICHINOSE, K

SUGIMORI, M

ITAI, A

EBIZUKA, Y

SANKAWA, U

机构：

来源：

CHEMISTRY LETTERS | 1991年 / 02期

关键词：

D O I：

10.1246/cl.1991.219

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The regioselectivity of a biomimetic reduction of 1,3,6,8-tetrahydroxynaphthalene (THN) was investigated by semi-empirical (AM1) molecular orbital calculations. Transition state structures and stabilities were simulated for the hydride attack models to the carbonyl carbons at C-1 and C-3 of the stable trianionic species of THN. The results suggested that C-3 carbon was more favorable for the reduction, which agreed with the experimental fact.

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页码：219 / 222

页数：4

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