TITLE:
Synthesis, Spectroscopic and Crystal Structure Studies on Ethyl 5,7-Dimethyl Coumarin-4-Acetate
AUTHORS:
Kiran K. Pujar, G. N. Anilkumar, Manohar V. Kulkarni
KEYWORDS:
Coumarin-4-Acetic acid Ethyl Ester; X-Ray Diffraction
JOURNAL NAME:
Crystal Structure Theory and Applications,
Vol.2 No.2,
June
24,
2013
ABSTRACT: Ethyl ester of 5,7-dimethyl coumarin-4-acetic acid has been synthesized from 3,5-Xylenol in a two step sequence of reaction involving Pechmann cyclisation and acid catalyzed esterification. The title compound 2 crystallizes in Monoclinic form, space group P 1 21/c 1, with a = 8.6248(4) ?, b = 18.9103(8) , c = 8.4204(4)?, β = 101.241(2）?, V = 1347.00(11) ?, D cal = 1.283 Mg/cm3, Z = 4. The molecule is stabilized by intermolecular C-H … O bonds.