N to C aryl migration in lithiated carbamates: α-arylation of benzylic alcohols

Journal of the American Chemical Society

Volumn 131, Issue 10, 2009, Pages 3410-3411

  Clayden, Jonathan ^a   Farnaby, William ^a   Grainger, Damian M ^a   Hennecke, Ulrich ^a   Mancinelli, Michele ^a   Tetlow, Daniel J ^a   Hillier, Ian H ^a   Vincent, Mark A ^a  

^a UNIVERSITY OF MANCHESTER   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ACYL TRANSFER; ALKYL CARBAMATE; AROMATIC RINGS; ARYL SUBSTITUENTS; ARYLATIONS; BENZYLIC ALCOHOLS; DENSITY FUNCTIONAL THEORY CALCULATIONS; LITHIATION; LOWER ENERGIES; N-ARYL GROUPS; TERTIARY ALCOHOLS;

DENSITY FUNCTIONAL THEORY; SUBSTITUTION REACTIONS;

AROMATIC COMPOUNDS;

BENZYL ALCOHOL; CARBAMIC ACID DERIVATIVE; CARBON; NITROGEN;

ARTICLE; ARYLATION; CHEMICAL MODIFICATION; CHEMICAL STRUCTURE; ENANTIOSELECTIVITY; LITHIATION;

EID: 70149123601     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja808959e     Document Type: Article

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33. DFT calculations were carried out at the B3LYP/6-31++G** level, with thermodynamic corrections (including zero-point effects) at the B3LYP/ 6-31G level (see the Supporting Information for details.