Caffeic Acid Phenethyl Ester (CAPE): Synthesis and X-Ray Crstallographic Analysis.
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- SON Sopheak
- Department of Food Science, Cornell University
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- LOBKOWSKY Emil B.
- Department of Chemistry and Chemical Biology, Cornell University
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- LEWIS Betty A.
- Division of Nutritional Sciences, Cornell University
Bibliographic Information
- Other Title
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- Caffeic Acid Phenethyl Ester(CAPE):Synthesis and X-Ray Crystallographic Analysis
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Abstract
The structure of caffeic acid phenethyl ester [2-propenoic acid, 3-(3, 4-dihydroxyphenyl)-, 2-phenethyl ester] (I), C17H16O4·1/2C6H6, synthesized by base-catalyzed alkylation of caffeic acid salt with β-bromoethylbenzene in HMPA (hexamethylphosphoramide) and recrystallized from benzene, was confirmed by single crystal X-ray diffraction. The crystals are triclinic, space group P¯on;1, Z=2, unit cell dimension a=5.8129 (9) Å, b=11.122 (2) Å, c=13.226 (2) Å, α=97.080 (3)°, β=101.467 (3)°, γ=95.405 (3)°, V=825.4 (2) Å3, Dcalc=1.301 g/cm3, F(000)=342. The packing of the molecule is stabilized by intermolecular O1H…O4 (2.69 Å) and O1…HO2 (2.82 Å) hydrogen bonds.
Journal
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- Chemical and Pharmaceutical Bulletin
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Chemical and Pharmaceutical Bulletin 49 (2), 236-238, 2001
The Pharmaceutical Society of Japan
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Details 詳細情報について
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- CRID
- 1390282679136274176
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- NII Article ID
- 110003615879
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- NII Book ID
- AA00602100
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- COI
- 1:CAS:528:DC%2BD3MXhtVSitLg%3D
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- ISSN
- 13475223
- 00092363
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- NDL BIB ID
- 5713729
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- PubMed
- 11217116
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- Text Lang
- en
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- Data Source
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- JaLC
- NDL
- Crossref
- PubMed
- CiNii Articles
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- Abstract License Flag
- Disallowed