NISCAIR Online Periodicals Repository

NISCAIR ONLINE PERIODICALS REPOSITORY (NOPR)  >
NISCAIR PUBLICATIONS >
Research Journals >
Indian Journal of Chemistry -Section B (IJC-B) >
IJC-B Vol.45B [2006] >
IJC-B Vol.45B(06) [June 2006] >


Title: Stereochemistry of N5‑acyltetrahydro‑1,5‑benzodiazepines – NMR spectra and semiempirical MO calculations
Authors: Venkatraj, M
Jeyaraman, R
Ponnuswamy, S
Keywords: N5‑Acyltetrahydro-1,5-benzodiazepine
N5‑formyl
N5‑acetyl
N5‑acetyl
N5‑benzoyl
NMR spectra
Semiempirical MO calculation
boat conformation
exo-orientation
X‑ray crystal structure
Issue Date: Jun-2006
Publisher: CSIR
IPC CodeInt.Cl.8 C07D
Abstract: The conformational preferences of N5‑acyltetrahydro-1,5-benzodiazepines 3-5 have been studied using NMR spectral techniques and semiempirical MO calculations (AM1 and PM3 methods). The N5‑formyl‑, N5‑acetyl‑ and N5‑benzoyl­tetrahydro‑2‑methyl‑2,4‑diphenyl ‑1H-1,5 benzodiazepines 3-5 prefer boat conformations BE with exo orientation of the acyl groups at N5. The X‑ray crystal structure of N5‑acetyl derivative 4 also shows a boat conformation BE with exo orientation of acetyl group at N5. The results obtained from semiempirical MO calculations (AM1 and PM3) are in excellent agreement with the results obtained from solution and solid states.
Page(s): 1531-1540
ISSN: 0975-0983(Online); 0376-4699(Print)
Source:IJC-B Vol.45B(06) [June 2006]

Files in This Item:

File Description SizeFormat
IJCB 45B(6) 1531-1540.pdf156.96 kBAdobe PDFView/Open
 Current Page Visits: 398 
Recommend this item

 

National Knowledge Resources Consortium |  NISCAIR Website |  Contact us |  Feedback

Disclaimer: NISCAIR assumes no responsibility for the statements and opinions advanced by contributors. The editorial staff in its work of examining papers received for publication is helped, in an honorary capacity, by many distinguished engineers and scientists.

CC License Except where otherwise noted, the Articles on this site are licensed under Creative Commons License: CC Attribution-Noncommercial-No Derivative Works 2.5 India

Copyright © 2012 The Council of Scientific and Industrial Research, New Delhi. All rights reserved.

Powered by DSpace Copyright © 2002-2007 MIT and Hewlett-Packard | Compliant to OAI-PMH V 2.0

Home Page Total Visits: 510492 since 06-Feb-2009  Last updated on 11-Apr-2014Webmaster: nopr@niscair.res.in