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Computational Study of C–H Insertion Reactions with Ethyl Bromodiazoacetate
Author(s) -
Bonge Hanne Therese,
Hansen Tore
Publication year - 2010
Publication title -
european journal of organic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.825
H-Index - 155
eISSN - 1099-0690
pISSN - 1434-193X
DOI - 10.1002/ejoc.201000531
Subject(s) - chemistry , insertion reaction , hydride , migratory insertion , mechanism (biology) , reaction mechanism , stereochemistry , substrate (aquarium) , computational chemistry , organic chemistry , catalysis , hydrogen , philosophy , oceanography , epistemology , geology
A computational study of C–H insertion reactions between ethyl bromodiazoacetate and three different substrates is presented. The mechanism of the C–H insertion is shown to be substrate dependent; the reaction follows either a concerted mechanism or a two‐step mechanism in which complete hydride transfer precedes C–C bond formation.