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CAS Number: 40611-85-6
ethyl 4-methyl-1H-pyrrole-2-carboxylate

Structure

ethyl 4-methyl-1H-pyrrole-2-carboxylate
Name: ethyl 4-methyl-1H-pyrrole-2-carboxylate
Synonyms:
General Information
Product Number: 40611856
CAS Registry Number:
40611-85-6
Name:
1H-Pyrrole-2-carboxylic acid, 4-methyl-, ethyl ester
 Pyrrole-2-carboxylic acid, 4-methyl-, ethyl ester (6CI); 4-Methyl-1H-pyrrole-2-carboxylic acid ethyl ester; 4-Methyl-2-pyrrolecarboxylic acid ethyl ester; Ethyl 4-methyl-2-pyrrolecarboxylate 
 
Chemical Formula: C8H11NO2
Exact Mass: 153.08
Molecular Weight: 153.18
m/z: 153.08 (100.0%), 154.08 (9.1%)
Elemental Analysis: C, 62.73; H, 7.24; N, 9.14; O, 20.89
 
InChI: InChI=1S/C8H11NO2/c1-3-11-8(10)7-4-6(2)5-9-7/h4-5,9H,3H2,1-2H3
InChIKey: RWFKYBVNHRKZSN-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CC(=CN1)C
 
Thermal Properties Value Condition Note
Melting Point 37-38 °C Solv: ethanol (64-17-5); water (7732-18-5) (4)IC
Melting Point 33-35 °C   (5)IC

Specification

98%

References
  1. (1) ACD: Spectral data were obtained from Advanced Chemistry Development, Inc.
  2. (2) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  3. (3) Lash, Timothy D.; Journal of Heterocyclic Chemistry 1991, V28(7), P1671-6 CAPLUS
  4. (4) Garrido, Daniel O. Alonso; Journal of Organic Chemistry 1988, V53(2), P403-7 CAPLUS
  5. (5) Nakanishi, Saburo; Bulletin of the Chemical Society of Japan 1990, V63(12), P3595-600 CAPLUS
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