Mechanistic and chemoselective insights on sp3- and sp2-C–H bond aminations: Fe- vs. Ir-based catalysis

Author:

Wang Juping1234ORCID,Xiao Rongxing1234,Zheng Kangcheng5634,Qian Li174

Affiliation:

1. School of Pharmacy

2. Guangdong Pharmaceutical University

3. Guangzhou

4. P. R. China

5. School of Chemistry

6. Sun Yat-sen University

7. Youjiang Medical University for Nationalities

Abstract

The mechanisms of Fe- and Ir-catalyzed sp3- and sp2-C–H bond aminations of a styryl substrate have been studied using the BPW91 method, with an emphasis on the origin of sp3-to-sp2-C–H amination chemoselectivity.

Funder

Natural Science Foundation of Guangdong Province

Publisher

Royal Society of Chemistry (RSC)

Subject

Catalysis

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