PREPARATION AND CONFORMATIONAL-ANALYSIS OF SEVERELY HINDERED BETA-DIKETONES - DIPOLE-MOMENT DETERMINATIONS AND THEORETICAL CALCULATIONS

被引：20

作者：

MORENOMANAS, M ^{[1
]}

GONZALEZ, A ^{[1
]}

JAIME, C ^{[1
]}

LLORIS, ME ^{[1
]}

MARQUET, J ^{[1
]}

MARTINEZ, A ^{[1
]}

SIANI, AC ^{[1
]}

VALLRIBERA, A ^{[1
]}

HERNANDEZFUENTES, I ^{[1
]}

REYSTOLLE, MF ^{[1
]}

SALOM, C ^{[1
]}

机构：

[1] UNIV COMPLUTENSE MADRID,FAC CIENCIAS QUIM,DEPT QUIM FIS I,E-28040 MADRID,SPAIN

来源：

TETRAHEDRON | 1991年 / 47卷 / 32期

关键词：

BETA-DIKETONES; PREPARATION FROM CO(II) COMPLEXES; CONFORMATIONAL ANALYSIS; DIPOLE MOMENTS; MOLECULAR MECHANICS;

D O I：

10.1016/S0040-4020(01)86578-9

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

Several beta -diketones bearing bulky substituents at the intercarbonyl positions have been prepared by alkylation of the cobalt (II) complexes of the unsubstituted diketones. Agreement between experimental and calculated dipole moments is fairly good thus rendering Molecular Mechanics a safe tool for the conformational analysis of the title molecules. The most populated conformations have been evaluated for nine beta -diketones bearing 1- and 2- adamantyl, tert-butyl, cyclohexyl, 1-phenylethyl and benzhydryl groups as well as two methyl groups and one methyl plus one 1-adamantyl groups.

引用

页码：6511 / 6520

页数：10

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