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CAS Number: 53715-64-3
ethyl 4-methyl-2-phenylthiazole-5-carboxylate

Structure

ethyl 4-methyl-2-phenylthiazole-5-carboxylate
Name: ethyl 4-methyl-2-phenylthiazole-5-carboxylate
Synonyms:
General Information
Product Number: 53715643
CAS Registry Number: 53715-64-3
Name:
5-​Thiazolecarboxylic acid, 4-​methyl-​2-​phenyl-​, ethyl ester
4-​Methyl-​2-​phenylthiazole-​5-​carboxylic acid ethyl ester; Ethyl 4-​methyl-​2-​phenylthiazole-​5-​carboxylate 
 
Chemical Formula: C13H13NO2S
Exact Mass: 247.07
Molecular Weight: 247.31
m/z: 247.07 (100.0%), 248.07 (15.1%), 249.06 (4.5%), 249.07 (1.5%)
Elemental Analysis: C, 63.13; H, 5.30; N, 5.66; O, 12.94; S, 12.97
 
InChI: InChI=1S/C13H13NO2S/c1-3-16-13(15)11-9(2)14-12(17-11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChIKey: FYPLITQTMHJFKK-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=C(N=C(S1)C2=CC=CC=C2)C
 
Thermal Properties Value Condition Note
Melting Point 74-75 °C   (3)IC
Melting Point 43 °C Solv: ethanol (64-17-5) (4)IC
Melting Point 42-43 °C   (2)CAS
Melting Point 5 °C   (5)CAS

Specification

98%

References
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  2. (2) Hou, Rei-Sheu; Journal of the Chinese Chemical Society (Taipei, Taiwan) 2006, V53(4), P863-866 CAPLUS
  3. (3) Singh, Harjit; Journal of Chemical Research, Synopses 1979, (8), P264 CAPLUS
  4. (4) Simiti, I.; Revue Roumaine de Chimie 1976, V21(7), P1073-81 CAPLUS
  5. (5) Platonova, O. V.; Russian Journal of Applied Chemistry 2008, V81(3), P513-515 CAPLUS
  6. (6) Sierra, Michael L.; Journal of Medicinal Chemistry 2007, V50(4), P685-695 CAPLUS
  7. (7) Horizoe, Tatsuo; WO 2002080899 A1 2002 CAPLUS
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