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

• Main Authors: Jonathan M. White, Aliya Ibrar, Imtiaz Khan
• Format: Article
• Language: English
• Published: MDPI AG 2012-05-01
• Series: Crystals
• Subjects: esterification; ethyl 2,6-dimethoxybenzoate; spectroscopic data; crystal structure
• Online Access: http://www.mdpi.com/2073-4352/2/2/521

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) Å3, 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.