A computational study of the chlorination and hydroxylation of amines by hypochlorous acid
Author:
Affiliation:
1. Faculty of Pharmacy and Biochemistry
2. University of Zagreb
3. 10000 Zagreb
4. Croatia
5. Division of Organic Chemistry and Biochemistry
6. Ruđer Bošković Institute
7. 10002 Zagreb
Abstract
The reactions of hypochlorous acid (HOCl) with ammonia, (di)methylamine, and heterocyclic amines have been studied computationally using double-hybrid DFT methods (B2PLYP-D and BK-PLYP) and a G3B3 composite scheme.
Funder
Alexander von Humboldt-Stiftung
Publisher
Royal Society of Chemistry (RSC)
Subject
Organic Chemistry,Physical and Theoretical Chemistry,Biochemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2015/OB/C5OB01823D
Reference81 articles.
1. Copper-Catalyzed Amination of Silyl Ketene Acetals with N-Chloroamines
2. Synthesis of Anthranilic Acid Derivatives through Iron-Catalyzed Ortho Amination of Aromatic Carboxamides with N-Chloroamines
3. N-Amination of Pyrrole and Indole Heterocycles with Monochloramine (NH2Cl)
4. Iron-Catalyzed Amidation of Aldehydes withN-Chloroamines
5. Rhodium(III)-Catalyzed Intermolecular Direct Amidation of Aldehyde C–H Bonds with N-Chloroamines at Room Temperature
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