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CAS Number: 1999-00-4
ethyl 3-(4-fluorophenyl)-3-oxopropanoate

Structure

ethyl 3-(4-fluorophenyl)-3-oxopropanoate
Name: ethyl 3-(4-fluorophenyl)-3-oxopropanoate
Synonyms:
General Information
Product Number: 1999004
CAS Number:
1999-00-4
Name:
Benzenepropanoic acid,4-fluoro-b-oxo-, ethyl ester
Ethyl 3-(4-fluorophenyl)-3-oxopropanoate
Synonyms:
Aceticacid, (p-fluorobenzoyl)-, ethyl ester (7CI,8CI);3-(4-Fluorophenyl)-3-oxopropanoic acid ethyl ester;Ethyl(4-fluorobenzoyl)acetate;Ethyl (p-fluorobenzoyl)acetate;Ethyl2-(4-fluorobenzoyl)acetate;Ethyl 2-(p-fluorobenzoyl)acetate;Ethyl 3-(4-fluorophenyl)-3-oxopropionate;Ethyl 3-oxo-3-(4-fluorophenyl)propionate;Ethyl a-(p-fluorobenzoyl)acetate;
Chemical Formula: C11H11FO3
Exact Mass: 210.07
Molecular Weight: 210.20
m/z: 210.07 (100.0%), 211.07 (12.0%)
Elemental Analysis: C, 62.85; H, 5.27; F, 9.04; O, 22.83
InChI: InChI=1S/C11H11FO3/c1-2-15-11(14)7-10(13)8-3-5-9(12)6-4-8/h3-6H,2,7H2,
1H3
InChIKey: SJUXLKYJKQBZLM-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)CC(=O)C1=CC=C(C=C1)F
MDL:. MFCD03093631
 
Thermal Properties Value Condition Note
Boiling Point 104-105 °C Press: 0.6 Torr (1)CAS

Specification

98%

References
  1. (1) Fuqua, S. A.; Tetrahedron 1964, V20(6), P1625-32 CAPLUS
  2. (2) Holub, Justin M.; Molecules 2004, V9(3), P135-157 CAPLUS
  3. (3) Zhang, Yandong; Journal of Chemical Research 2004, (7), P510-512 CAPLUS
  4. (4) Yadav, J. S.; Tetrahedron 2005, V61(4), P875-878 CAPLUS
  5. (5) Lehmann, Frank; Journal of Combinatorial Chemistry 2008, V10(3), P364-367 CAPLUS
  6. (6) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  7. (7) Chucholowski, Alexander Wilhelm; EP 306929 A2 1989 CAPLUS
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