The title compound, C 22 H 30 O 4 , is known as a chemopreventive agent against colon tumor development. The molecular structure is nearly planar, showing a trans arrangement with respect to the C C bond of the phenylpropenoate moiety.
Ethyl 3-(3,4-dihydroxyphenyl)-2-propenoate
✍ Scribed by Xia, Chun-Nian ;Hu, Wei-Xiao ;Rao, Guo-Wu
- Publisher
- International Union of Crystallography
- Year
- 2004
- Tongue
- English
- Weight
- 140 KB
- Volume
- 60
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
The title compound, C 11 H 12 O 4 , was prepared from the Knoevenagel condensation reaction of 3,4-dihydroxybenzaldehyde and monoethyl malonate. The almost planar molecule is the E isomer.
📜 SIMILAR VOLUMES
In the title molecule, C 18 H 16 O 3 , the configuaration with respect to the C C double bond is E. The benzoyl group is rotated out of the mean plane through the rest of the molecule by 88.31 (4) . In the crystal structure, molecules are linked by weak intermolecular C-HÁ Á ÁO interactions to form
Single-crystal X-ray study T = 296 K Mean '(C±C) = 0.003 A Ê R factor = 0.034 wR factor = 0.101 Data-to-parameter ratio = 12.1 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.