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Crystals 2012, 2(2), 521-527; doi:10.3390/cryst2020521

Communication

Ethyl 2,6-Dimethoxybenzoate: Synthesis, Spectroscopic and X-ray Crystallographic Analysis

Imtiaz Khan ^1,* , Aliya Ibrar ¹  and Jonathan M. White ²

¹ Department of Chemistry, Quaid-i-Azam University, 45320, Islamabad, Pakistan ² Bio-21 Institute, School of Chemistry, University of Melbourne, 3052 Parkville, Australia

* Author to whom correspondence should be addressed.

Received: 19 March 2012; in revised form: 4 May 2012 / Accepted: 9 May 2012 / Published: 22 May 2012

Download PDF Full-Text [230 KB, uploaded 23 May 2012 09:51 CEST]

Abstract: The acid catalyzed esterification of 2,6-dimethoxybenzoic acid (1) in the presence of absolute ethanol afforded ethyl 2, 6-dimethoxybenzoate (2). The structure of the resulting compound was supported by spectroscopic data and unambiguously confirmed by single crystal X-ray diffraction studies. The title compound crystallized in the triclinic space group P ī with unit cell parameters a = 8.5518(3) Å, b = 10.8826(8) Å, c = 11.9939(6) Å, α = 101.273(5)°, β = 98.287(3)°, γ = 94.092(4)°, V = 1077.54(10) ų, Z = 4, Dc = 1.296 Mg/m³, F(000) = 448 and μ = 0.098 mm⁻¹. Compound (2) crystallizes with two molecules in the asymmetric unit with similar conformations.

Keywords: esterification; ethyl 2,6-dimethoxybenzoate; spectroscopic data; crystal structure

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