Ab Initio MO Study on the Nucleophilic Oxirane Ring Opening of Exo and Endo Aflatoxin B1 8,9-Oxide.
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چکیده
منابع مشابه
Unexplored nucleophilic ring opening of aziridines.
The reactivity of dianions of carboxylic acids towards aziridines has been studied. Although, a similar reactivity to that of enolates from ketones, esters or amides has been observed, the method directly yields γ-aminoacids in one step. The method is complementary of previous results of enenediolate reactivity with other electrophiles. A comparative study with the reactivity of this enediolate...
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deepoxidation of 1 with dissolving metal (Zn). Reductive oxirane cleavage was accompanied by simultaneous allylic rearrangement giving 1 0, 1 3-dihydro1 3-hydroxy desmycosin (5). It is noteworthy that preparation of 1 consists of two steps2): oxidation of the 12,13-double bond with mchloroperbenzoic acid with simultaneous formation of TV-oxide, and reduction of the TV-oxide with Ph3P. Until now...
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Ab initio calculation at HF/6-31G* level of theory for geometry optimization and MP2/6-31G*//HF/6-31G* for a single point total energy calculation are reported for the important energyminimumconformations and transition-state geometries of of cyclodeca-1,2,3-triene (1). The mostfavorable conformation of 1 is a unsymmetrical twist-chair (1-TC) structure. Degenerateinterconversion of 1-TC with it...
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The 1, 3-bis(trimethyl silyl)ether of p-tert-butyl calix[4]arene, Rt-Bu)Ca1ixTMS21112, has beensynthesized and used as a dianionic ligand for "Sn". The complex of [(t-Bu)Ca1ixTMS2]Snexhibits exo and endo isomerism. The structural properties of [(Rp)Ca1ixTMS2]Sn, (Rpara= H,CH3, t-Bu) and the inter conversion of exoendo isomers were investigated by using of SCF-MOPM3 method.
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ژورنال
عنوان ژورنال: NIPPON KAGAKU KAISHI
سال: 1999
ISSN: 2185-0925,0369-4577
DOI: 10.1246/nikkashi.1999.561