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CAS Number: 16078-71-0
ethyl 5-amino-1-phenyl-1H-pyrazole-4-carboxylate

Structure

 ethyl 5-amino-1-phenyl-1H-pyrazole-4-carboxylate
Name: ethyl 5-amino-1-phenyl-1H-pyrazole-4-carboxylate
Synonyms:
General Information
Product Number: 16078710
CAS Registry Number: 16078-71-0
Name:
        1H-​Pyrazole-​4-​carboxylic acid, 5-​amino-​1-​phenyl-​, ethyl ester
        Pyrazole-​4-​carboxylic acid, 5-​amino-​1-​phenyl-​, ethyl ester (6CI,​7CI,​8CI); 5-​Amino-​1-​phenyl-​1H-​pyrazole-​4-​carboxylic acid ethyl ester; 5-​Amino-​4-​ethoxycarbonyl-​1-​phenylpyrazole; Ethyl 5-​amino-​1-​phenyl-​1H-​pyrazole-​4-​carboxylate; Ethyl 5-​amino-​1-​phenyl-​4-​pyrazolecarboxylate; NSC 221275; NSC 75788 
 
Chemical Formula: C12H13N3O2
Exact Mass: 231.10
Molecular Weight: 231.25
m/z: 231.10 (100.0%), 232.10 (14.2%), 233.11 (1.2%)
Elemental Analysis: C, 62.33; H, 5.67; N, 18.17; O, 13.84
 
InChI: InChI=1S/C12H13N3O2/c1-2-17-12(16)10-8-14-15(11(10)13)9-6-4-3-5-7-9/h3-8H,2,13H2,1H3
InChIKey: AYJIUOZKKTUKKD-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)N
 
Thermal Properties Value Condition Note
Melting Point 103-105 °C   (7)CAS
Melting Point 99-101 °C   (8)CAS
Melting Point 99-101 °C   (9)CAS
Melting Point 99-101 °C   (10)CAS
Melting Point 99 °C Solv: ethanol (64-17-5); water (7732-18-5) (11)CAS
 

Specification

98%
References
  1. (1) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
  2. (2) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  3. (3) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
  4. (4) 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.
  5. (5) Farghaly, A. A.; Heterocyclic Communications 2005, V11(3-4), P255-262 CAPLUS
  6. (6) Deprez-Poulain, Rebecca; European Journal of Medicinal Chemistry 2011, V46(9), P3867-3876 CAPLUS
  7. (7) Takamizawa, Akira; JP 34008117 B4 1959 CAPLUS
  8. (8) Druey, Jean; DE 1044090 1958 CAPLUS
  9. (9) Druey, Jean; US 2965043 1960 CAPLUS
  10. (10) GB 865709 1961 CAPLUS
  11. (11) Heravi, Majid M.; Phosphorus, Sulfur and Silicon and the Related Elements 2006, V181(3), P591-599 CAPLUS
  12. (12) Li, Jun-fei; Journal of Heterocyclic Chemistry 2007, V44(4), P749-755 CAPLUS
  13. (13) Reddy, G. Jagath; Heterocyclic Communications 2005, V11(5), P385-388 CAPLUS
  14. (14) Sarangan, S.; Journal of the Indian Chemical Society 1976, V53(4), P426-7 CAPLUS
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