Ethyl 2,6-Dimethoxybenzoate: Synthesis, Spectroscopic and X-ray Crystallographic Analysis
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 t...
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| Format: | Article |
| Language: | English |
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MDPI AG
2012-05-01
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| Series: | Crystals |
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| Online Access: | http://www.mdpi.com/2073-4352/2/2/521 |
| _version_ | 1811263271723859968 |
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| author | Jonathan M. White Aliya Ibrar Imtiaz Khan |
| author_facet | Jonathan M. White Aliya Ibrar Imtiaz Khan |
| author_sort | Jonathan M. White |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-04-12T19:42:43Z |
| format | Article |
| id | doaj.art-1fa0ed94af3842e68834d5f46a923166 |
| institution | Directory Open Access Journal |
| issn | 2073-4352 |
| language | English |
| last_indexed | 2024-04-12T19:42:43Z |
| publishDate | 2012-05-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Crystals |
| spelling | doaj.art-1fa0ed94af3842e68834d5f46a9231662022-12-22T03:19:02ZengMDPI AGCrystals2073-43522012-05-012252152710.3390/cryst2020521Ethyl 2,6-Dimethoxybenzoate: Synthesis, Spectroscopic and X-ray Crystallographic AnalysisJonathan M. WhiteAliya IbrarImtiaz KhanThe 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.http://www.mdpi.com/2073-4352/2/2/521esterificationethyl 2,6-dimethoxybenzoatespectroscopic datacrystal structure |
| spellingShingle | Jonathan M. White Aliya Ibrar Imtiaz Khan Ethyl 2,6-Dimethoxybenzoate: Synthesis, Spectroscopic and X-ray Crystallographic Analysis Crystals esterification ethyl 2,6-dimethoxybenzoate spectroscopic data crystal structure |
| title | Ethyl 2,6-Dimethoxybenzoate: Synthesis, Spectroscopic and X-ray Crystallographic Analysis |
| title_full | Ethyl 2,6-Dimethoxybenzoate: Synthesis, Spectroscopic and X-ray Crystallographic Analysis |
| title_fullStr | Ethyl 2,6-Dimethoxybenzoate: Synthesis, Spectroscopic and X-ray Crystallographic Analysis |
| title_full_unstemmed | Ethyl 2,6-Dimethoxybenzoate: Synthesis, Spectroscopic and X-ray Crystallographic Analysis |
| title_short | Ethyl 2,6-Dimethoxybenzoate: Synthesis, Spectroscopic and X-ray Crystallographic Analysis |
| title_sort | ethyl 2 6 dimethoxybenzoate synthesis spectroscopic and x ray crystallographic analysis |
| topic | esterification ethyl 2,6-dimethoxybenzoate spectroscopic data crystal structure |
| url | http://www.mdpi.com/2073-4352/2/2/521 |
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