STABLE KETO-TAUTOMER OF TETRAHYDROXYNAPHTHALENE IN ALKALI - THEORETICAL SUPPORT TO THE POSTAROMATIC REDUCTION IN THE BIOSYNTHESIS OF AROMATIC POLYKETIDES

被引:3
作者
ICHINOSE, K [1 ]
SUGIMORI, M [1 ]
ITAI, A [1 ]
EBIZUKA, Y [1 ]
SANKAWA, U [1 ]
机构
[1] UNIV TOKYO,FAC PHARMACEUT SCI,7-3-1 HONGO,BUNKYO KU,TOKYO 113,JAPAN
关键词
D O I
10.1016/S0040-4039(00)97990-5
中图分类号
O62 [有机化学];
学科分类号
070303 ; 081704 ;
摘要
The structure of the most stable ionic species of 1,3,6,8-tetrahydroxynaphthalene in alkali was investigated by the semi-empirical (AM1) and ab initio (3-21+G//3-21G) molecular orbital calculations. It was concluded that the most stable species was a non-symmetrical ketotautomer trianion. © 1990.
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页码:5905 / 5908
页数:4
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