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CAS Number: 64399-23-1
ethyl 2-amino-4-phenylthiazole-5-carboxylate

Structure

ethyl 2-amino-4-phenylthiazole-5-carboxylate
Name: ethyl 2-amino-4-phenylthiazole-5-carboxylate
Synonyms:
General Information
Product Number: 64399231
CAS Registry Number: 64399-23-1
Name:
5-​Thiazolecarboxylic acid, 2-​amino-​4-​phenyl-​, ethyl ester
2-​Amino-​4-​phenyl-​5-​thiazolecarboxylic acid ethyl ester; 2-​Amino-​4-​phenylthiazole-​5-​carboxylic acid ethyl ester; Ethyl 2-​amino-​4-​phenyl-​1,​3-​thiazole-​5-​carboxylate; Ethyl 2-​amino-​4-​phenylthiazole-​5-​carboxylate; NSC 119931 
 
Chemical Formula: C12H12N2O2S
Exact Mass: 248.06
Molecular Weight: 248.30
m/z: 248.06 (100.0%), 249.07 (13.2%), 250.06 (4.7%), 249.06 (1.5%), 250.07 (1.2%)
Elemental Analysis: C, 58.05; H, 4.87; N, 11.28; O, 12.89; S, 12.91
 
InChI: InChI=1S/C12H12N2O2S/c1-2-16-11(15)10-9(14-12(13)17-10)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,13,14)
InChIKey: OZMXFXOHCUEEPD-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=C(N=C(S1)N)C2=CC=CC=C2
 
Thermal Properties Value Condition Note
Melting Point 172-173 °C   (7)CAS
Melting Point 170-172 °C   (4)CAS
Melting Point 170-172 °C   (1)CAS

Specification

98%

References
  1. (1) Kuarm, Bowroju S.; Letters in Organic Chemistry 2011, V8(8), P549-553 CAPLUS
  2. (2) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
  3. (3) BIORAD: Infrared spectral data from the Bio-Rad/Sadtler IR Data Collection was obtained from Bio-Rad Laboratories, Philadelphia, PA (US). Copyright © Bio-Rad Laboratories. All Rights Reserved.
  4. (4) Narender, Mendu; Synthesis 2007, (22), P3469-3472 CAPLUS
  5. (5) Nikolova, Antonina; Arzneimittel Forschung 2004, V54(6), P323-329 CAPLUS
  6. (6) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  7. (7) Zav'yalov, S. I.; Pharmaceutical Chemistry Journal 2007, V41(2), P105-108 CAPLUS
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