Molecules 2008, 13(2), 379-390; doi:10.3390/molecules13020379
Article

Synthesis, Molecular Structure and Spectral Properties of Quaternary Ammonium Derivatives of 1,1-Dimethyl-1,3-propylenediamine

email
Received: 30 January 2008; in revised form: 12 February 2008 / Accepted: 12 February 2008 / Published: 15 February 2008
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
Abstract: 1,1-Dimethyl-3-oxo-1,4-diazepan-1-ium chloride (1) and 1,1-dimethyl-1-carboxymethyl-3-aminopropyl ammonium hydrochloride (2) have been obtained by thereactions of 1,1-dimethyl-1,3-propylenediamine with ethyl chloroacetate and chloroaceticacid, respectively. The products have been characterized by FTIR, Raman and NMRspectroscopy. B3LYP calculations have also been carried out. The screening constants for 13C- and 1H- atoms have been calculated by the GIAO/B3LYP/6-31G(d,p) approach andanalyzed. The FTIR and NMR spectra of the investigated compounds 1 and 2 are inexcellent agreement with the structures optimized by Density Functional Theory (DFT)calculations.
Keywords: 1; 1-Dimethyl-3-oxo-1; 4-diazepinium chloride; 1; 1-dimethyl-1-carboxymethyl- methyl- calculations.
PDF Full-text Download PDF Full-Text [159 KB, uploaded 18 June 2014 19:27 CEST]

Export to BibTeX |
EndNote


MDPI and ACS Style

Kowalczyk, I. Synthesis, Molecular Structure and Spectral Properties of Quaternary Ammonium Derivatives of 1,1-Dimethyl-1,3-propylenediamine. Molecules 2008, 13, 379-390.

AMA Style

Kowalczyk I. Synthesis, Molecular Structure and Spectral Properties of Quaternary Ammonium Derivatives of 1,1-Dimethyl-1,3-propylenediamine. Molecules. 2008; 13(2):379-390.

Chicago/Turabian Style

Kowalczyk, Iwona. 2008. "Synthesis, Molecular Structure and Spectral Properties of Quaternary Ammonium Derivatives of 1,1-Dimethyl-1,3-propylenediamine." Molecules 13, no. 2: 379-390.

Molecules EISSN 1420-3049 Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert