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CAS Number: 51605-32-4
ethyl 4-methyl-1H-imidazole-5-carboxylate

Structure

ethyl 4-methyl-1H-imidazole-5-carboxylate
Name: ethyl 4-methyl-1H-imidazole-5-carboxylate
Synonyms:
General Information
Product Number: 51605324
CAS Registry Number: 51605-32-4
Name:
1H-​Imidazole-​5-​carboxylic acid, 4-​methyl-​, ethyl ester
1H-​Imidazole-​4-​carboxylic acid, 5-​methyl-​, ethyl ester (9CI); Imidazole-​4(or 5)​-​carboxylic acid, 5(or 4)​-​methyl-​, ethyl ester (6CI); 4-​Carbethoxy-​5-​methylimidazole; 4-​Methyl-​1H-​imidazole-​5-​carboxylic acid ethyl ester; 5-​Ethoxycarbonyl-​4-​methylimidazole; 5-​Methyl-​1H-​imidazole-​4-​carboxylic acid ethyl ester; 5-​Methyl-​3H-​imidazole-​4-​carboxylic acid ethyl ester; 5-​Methyl-​4-​ethoxycarbonylimidaz​ole; Ethyl 4-​methyl-​1H-​imidazole-​5-​carboxylate; Ethyl 4-​methyl-​5-​imidazolcarboxylate; Ethyl 4-​methylimidazole-​5-​carboxylate; Ethyl 5-​methyl-​1H-​imidazole-​4-​carboxylate; Ethyl 5-​methyl-​4-​imidazolecarboxylate; NSC 195976 
 
Chemical Formula: C7H10N2O2
Exact Mass: 154.07
Molecular Weight: 154.17
m/z: 154.07 (100.0%), 155.08 (7.8%)
Elemental Analysis: C, 54.54; H, 6.54; N, 18.17; O, 20.76
 
InChI: InChI=1S/C7H10N2O2/c1-3-11-7(10)6-5(2)8-4-9-6/h4H,3H2,1-2H3,(H,8,9)
InChIKey: VLDUBDZWWNLZCU-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=C(NC=N1)C
 
Thermal Properties Value Condition Note
Melting Point 206 °C   (4)CAS
Melting Point 204-205 °C   (5)CAS

Specification

98%

References
  1. (1) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
  2. (2) Weitman, Michal; Tetrahedron 2010, V66(7), P1465-1471 CAPLUS
  3. (3) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  4. (4) Bohme, Horst; Chemische Berichte 1958, V91, P988-96 CAPLUS
  5. (5) Cornforth, J. W.; Journal of the Chemical Society 1953, P93-8 CAPLUS
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