Experimental and computational studies on the [3,3]- and [3,5]-sigmatropic rearrangements of acetoxycyclohexadienones: A non-ionic mechanism for acyl migration

Journal of the American Chemical Society

Volumn 135, Issue 38, 2013, Pages 14438-14447

  Sharma, Shikha ^a   Rajale, Trideep ^a   Cordes, David B ^a   Hung Low, Fernando ^a   Birney, David M ^a  

^a TEXAS TECH UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL STUDIES; ELECTRONIC STRUCTURE THEORY; ENERGY PATHWAY; EXPERIMENTAL EVIDENCE; FLASH VACUUM PYROLYSIS; INCREASING TEMPERATURES; SIGMATROPIC REARRANGEMENTS; TRANSITION STATE;

CYCLOHEXANE; ELECTRONIC STRUCTURE;

PHENOLS;

2,6 DIACETOXY 6 METHYL 2,4 CYCLOHEXADIENONE; 6,6 DIACETOXY 2 METHYL 2,4 CYCLOHEXADIENONE; ALKANE DERIVATIVE; CYCLOHEXANE DERIVATIVE; ESTER; PHENOL DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; CHEMICAL MODIFICATION; COMPUTATIONAL FLUID DYNAMICS; CONTROLLED STUDY; CRYSTAL STRUCTURE; ENERGY; EQUILIBRIUM CONSTANT; ION TRANSPORT; ISOMERIZATION; MOLECULAR ELECTRONICS; MOLECULE; PHASE TRANSITION; PYROLYSIS; QUALITATIVE ANALYSIS; RING OPENING; SIGMATROPIC REARRANGEMENT; STEREOCHEMISTRY; SUBSTITUTION REACTION;

EID: 84884835520     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja4077364     Document Type: Article

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