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CAS Number: 64920-29-2
ethyl 2-oxo-4-phenylbutanoate

Structure

ethyl 2-oxo-4-phenylbutanoate
Name: ethyl 2-oxo-4-phenylbutanoate
Synonyms:
General Information
Product Number: 64920292
CAS Registry Number: 64920-29-2
Name:
Benzenebutanoic acid, α-​oxo-​, ethyl ester
2-​Oxo-​4-​phenylbutanoic acid ethyl ester; 2-​Oxo-​4-​phenylbutyric acid ethyl ester; 4-​Phenyl-​2-​oxobutyric acid ethyl ester; Ethyl 2-​oxo-​4-​phenylbutanoate; Ethyl 2-​oxo-​4-​phenylbutyrate; Ethyl 3-​benzylpyruvate; Ethyl 4-​phenyl-​2-​ketobutyrate; Ethyl 4-​phenyl-​2-​oxobutanoate; Ethyl 4-​phenyl-​2-​oxobutyrate; Ethyl benzylpyruvate 
 
Chemical Formula: C12H14O3
Exact Mass: 206.09
Molecular Weight: 206.24
m/z: 206.09 (100.0%), 207.10 (13.3%), 208.10 (1.4%)
Elemental Analysis: C, 69.88; H, 6.84; O, 23.27
 
InChI: InChI=1S/C12H14O3/c1-2-15-12(14)11(13)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKey: STPXIOGYOLJXMZ-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C(=O)CCC1=CC=CC=C1
 
Thermal Properties Value Condition Note
Boiling Point 256-258 °C Press: 760 Torr (1)CAS
Boiling Point 135-141 °C Press: 3 Torr (2)IC
Boiling Point 105-110 °C Press: 0.2-0.3 Torr (3)IC
Boiling Point 105-110 °C Press: 0.2 Torr (4)IC

Specification

98%

References
  1. (1) Tiffeneau, M.; Anales de la Asociacion Quimica Argentina (1921-2001) 1928, V16, P144-57 CAPLUS
  2. (2) Oka, Yoshikazu; EP 51391 A1 1982 CAPLUS
  3. (3) Blacklock, Thomas J.; Journal of Organic Chemistry 1988, V53(4), P836-44 CAPLUS
  4. (4) Weinstock, Leonard M.; Synthetic Communications 1981, V11(12), P943-6 CAPLUS
  5. (5) Meng, Qinghua; Journal of Organic Chemistry 2008, V73(18), P7209-7212 CAPLUS
  6. (6) Mei, Zhen-Wu; Tetrahedron 2008, V64(47), P10761-10766 CAPLUS
  7. (7) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  8. (8) Balazsik, Katalin; Journal of Catalysis 2004, V224(2), P463-472 CAPLUS
  9. (9) Hayashi, Masashi; Angewandte Chemie, International Edition 2011, V50(10), P2249-2252, S2249/1-S2249/60 CAPLUS
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