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CAS Number: 85230-37-1
ethyl 5-hydroxy-1H-pyrazole-3-carboxylate

Structure

ethyl 5-hydroxy-1H-pyrazole-3-carboxylate
Name: ethyl 5-hydroxy-1H-pyrazole-3-carboxylate
Synonyms:
General Information
Product Number: 85230371
CAS Registry Number: 85230-37-1
Name:
1H-​Pyrazole-​3-​carboxylic acid, 5-​hydroxy-​, ethyl ester
Pyrazole-​3(or 5)​-​carboxylic acid, 5(or 3)​-​hydroxy-​, ethyl ester (7CI); 3-​Ethoxycarbonyl-​5-​hydroxypyrazole; 5-​Hydroxy-​1H-​pyrazole-​3-​carboxylic acid ethyl ester; Ethyl 5-​hydroxy-​1H-​pyrazole-​3-​carboxylate 
 
Chemical Formula: C6H8N2O3
Exact Mass: 156.05
Molecular Weight: 156.14
m/z: 156.05 (100.0%), 157.06 (6.7%)
Elemental Analysis: C, 46.15; H, 5.16; N, 17.94; O, 30.74
 
InChI: InChI=1S/C6H8N2O3/c1-2-11-6(10)4-3-5(9)8-7-4/h3H,2H2,1H3,(H2,7,8,9)
InChIKey: FGCPAXRNQIOISG-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CC(=O)NN1
 
Thermal Properties Value Condition Note
Melting Point 167-168 °C Solv: ethanol (64-17-5) (4)IC
Melting Point 137-138 °C   (2)CAS

Specification

98%

References
  1. (1) ACD: Spectral data were obtained from Advanced Chemistry Development, Inc.
  2. (2) Martins, Marcos A. P.; Synthesis 2003, (15), P2353-2357 CAPLUS
  3. (3) Hichour, M.; Journal of Heterocyclic Chemistry 1993, V30(4), P1097-100 CAPLUS
  4. (4) Ochi, Hisao; Chemical & Pharmaceutical Bulletin 1983, V31(4), P1228-34 CAPLUS
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