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CAS Number: 51986-17-5
ethyl 5-hydroxy-1-methyl-1H-pyrazole-3-carboxylate

Structure

 ethyl 5-hydroxy-1-methyl-1H-pyrazole-3-carboxylate
Name: ethyl 5-hydroxy-1-methyl-1H-pyrazole-3-carboxylate
Synonyms:
General Information
Product Number: 51986175
CAS Registry Number: 51986-17-5
Name:
1H-​Pyrazole-​3-​carboxylic acid, 5-​hydroxy-​1-​methyl-​, ethyl ester
1-​Methyl-​3-​carbethoxy-​5-​hydroxypyrazole; 2-​Methyl-​3-​hydroxy-​5-​(ethoxycarbonyl)​pyrazole; 3-​Ethoxycarbonyl-​5-​hydroxy-​1-​methylpyrazole; 5-​Hydroxy-​1-​methyl-​1H-​pyrazole-​3-​carboxylic acid ethyl ester; Ethyl 5-​hydroxy-​1-​methyl-​3-​pyrazolecarboxylate 
 
Chemical Formula: C7H10N2O3
Exact Mass: 170.07
Molecular Weight: 170.17
m/z: 170.07 (100.0%), 171.07 (8.4%)
Elemental Analysis: C, 49.41; H, 5.92; N, 16.46; O, 28.21
 
InChI: InChI=1S/C7H10N2O3/c1-3-12-7(11)5-4-6(10)9(2)8-5/h4,8H,3H2,1-2H3
InChIKey: OMGLOQRFAJAMTB-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CC(=O)N(N1)C
 
Thermal Properties Value Condition Note
Melting Point 145-147 °C   (4)IC
Melting Point 140-141 °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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