Journal
JOURNAL OF ORGANIC CHEMISTRY
Volume 82, Issue 16, Pages 8645-8650Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acs.joc.7b01577
Keywords
-
Categories
Funding
- National Institute of General Medical Sciences
- National Institutes of Health [GM36700]
- NIH Chemistry Biology Interface Research Training Grant (USPHS) [T32GM008496]
Ask authors/readers for more resources
A model for the stereoselectivity of intramolecular alkylations by N,N'-disubstitiited cinchona alkaloids reported by Xiang et al. was established using density functional theory (DFT) calculations. The Stereocontrol is based on the minimal distortion of the transition state (TS) and catalyst required to achieve favorable electrostatic interactions in the favored TS. Counterions must be included. in computational modeling of ion-paired catalysis in order to reproduce experimental enantioselectivity.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available