A Computational Study of Mixed Aggregates of Chloromethyllithium with Lithium Dialkylamides

2005 ◽  
Vol 70 (21) ◽  
pp. 8298-8302 ◽  
Author(s):  
Lawrence M. Pratt ◽  
Lý Thi Lê ◽  
Thanh N. Truong
Keyword(s):  
Computational Study ◽  
Mixed Aggregates

A Computational Study of Lithium Enolate Mixed Aggregates

2003 ◽  
Vol 68 (7) ◽  
pp. 2830-2838 ◽  
Author(s):  
Lawrence M. Pratt ◽  
Andrew Streitwieser
Keyword(s):  
Computational Study ◽  
Lithium Enolate ◽  
Mixed Aggregates

3-Aminopyrrolidine lithium amides as chiral ligands for alkyllithium derivatives: Synthesis, NMR analysis, and computational study of their mixed aggregates

2006 ◽  
Vol 78 (2) ◽  
pp. 321-331 ◽  
Author(s):  
Anne Harrison-Marchand ◽  
Jean-Yves Valnot ◽  
Aline Corruble ◽  
Nicolas Duguet ◽  
Hassan Oulyadi ◽  
...  
Keyword(s):  
Computational Study ◽  
Ligand Design ◽  
Model Reaction ◽  
Chiral Ligands ◽  
Nmr Analysis ◽  
Simplified Models ◽  
Lithium Amides ◽  
Mixed Aggregates

An overview of the role of 3-aminopyrrolidine lithium amides (3-APLi's) as chiral ligands for alkyllithiums (AlkLi's) is presented. Synthetic developments as well as NMR characterizations and computational interpretations have been simultaneously and complementarily conducted to improve the ligand design for a model reaction that is the condensation of AlkLi's on o-tolualdehyde, for which enantiomeric excesses up to 80 % were obtained. This study describes the whole chain going from the synthesis of the chiral 3-aminopyrrolidines (3-APs) (18 different 3-APs synthesized) to the characterization of the noncovalent mixed aggregates resulting from the interaction between the organolithium partners (3-APLi:AlkLi). Finally, the docking of the aldehyde on one lithium of the aggregate was analyzed by theoretical means on simplified models, in an attempt to understand the structure of the fully loaded pretransition complexes.

A computational study of halomethyllithium carbenoid mixed aggregates with lithium halides and lithium methoxide

Tetrahedron ◽  
2006 ◽  
Vol 62 (47) ◽  
pp. 10821-10828 ◽  
Author(s):  
Lawrence M. Pratt ◽  
Shayla Merry ◽  
Son Chi Nguyen ◽  
Phung Quan ◽  
B.T. Thanh
Keyword(s):  
Computational Study ◽  
Mixed Aggregates ◽  
Lithium Halides

A computational study of lithium methoxide mixed aggregates with alkyllithiums

Tetrahedron ◽  
2008 ◽  
Vol 64 (22) ◽  
pp. 5314-5321 ◽  
Author(s):  
Lawrence M. Pratt ◽  
Ohyun Kwon ◽  
Thanh Chi Ho ◽  
Ngan Van Nguyen
Keyword(s):  
Computational Study ◽  
Mixed Aggregates

3-Aminopyrrolidine Lithium Amides as Chiral Ligands for Alkyllithium Derivatives: Synthesis, NMR Analysis, and Computational Study of Their Mixed Aggregates

ChemInform ◽  
2006 ◽  
Vol 37 (33) ◽  
Author(s):  
Anne Harrison-Marchand ◽  
Jean-Yves Valnot ◽  
Aline Corruble ◽  
Nicolas Duguet ◽  
Hassan Oulyadi ◽  
...  
Keyword(s):  
Computational Study ◽  
Chiral Ligands ◽  
Nmr Analysis ◽  
Lithium Amides ◽  
Mixed Aggregates

A Computational Study of Lithium Cuprate Mixed Aggregates

2012 ◽  
Vol 116 (36) ◽  
pp. 9027-9032 ◽  
Author(s):  
Chau Nguyen Duy Khiem ◽  
Le Ngoc Thach ◽  
Takanori Iwasaki ◽  
Nobuaki Kambe ◽  
Andrey A. Boguslavskiy ◽  
...  
Keyword(s):  
Computational Study ◽  
Mixed Aggregates
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