Assignment of the Crystal Structure to the Aza-Pinacol Coupling Product by X-ray Diffraction and Density Functional Theory Modeling.
ACS Omega
; 7(45): 41581-41585, 2022 Nov 15.
Article
em En
| MEDLINE
| ID: mdl-36406529
ABSTRACT
Aza-pinacol coupling of N-benzyl-1-phenylmethanimine using Zn dust affords a mixture of R,S- or R,R-diastereomers in a 11 ratio. The R,S-diastereomer is solid with an m.p. of 135 °C, while the R,R-diastereomer is liquid at room temperature. The configuration of stereocenters was determined by combining X-ray powder diffraction and density functional theory (DFT) modeling.
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MEDLINE
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En
Ano de publicação:
2022
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Article