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CAS Number: 2199-51-1
ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate

Structure

ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate
Name: ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate
Synonyms:
General Information
Product Number: 2199511
CAS Registry Number: 2199-51-1
Name:
        1H-​Pyrrole-​3-​carboxylic acid, 2,​4-​dimethyl-​, ethyl ester
        Pyrrole-​3-​carboxylic acid, 2,​4-​dimethyl-​, ethyl ester (6CI,​7CI,​8CI); 2,​4-​Dimethyl-​1H-​pyrrole-​3-​carboxylic acid ethyl ester; 2,​4-​Dimethyl-​3-​(ethoxycarbonyl)​pyrrole; 2,​4-​Dimethyl-​3-​carbethoxypyrrole; 3-​(Ethoxycarbonyl)​-​2,​4-​dimethylpyrrole; Ethyl 2,​4-​dimethylpyrrole-​3-​carboxylate; NSC 13425 
 
Chemical Formula: C9H13NO2
Exact Mass: 167.09
Molecular Weight: 167.21
m/z: 167.09 (100.0%), 168.10 (10.0%)
Elemental Analysis: C, 64.65; H, 7.84; N, 8.38; O, 19.14
 
InChI: InChI=1S/C9H13NO2/c1-4-12-9(11)8-6(2)5-10-7(8)3/h5,10H,4H2,1-3H3
InChIKey: QWSFDUPEOPMXCV-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=C(NC=C1C)C
 
Thermal Properties Value Condition Note
Boiling Point 159-160 °C Press: 10 Torr (1)CAS
Melting Point 157-158 °C   (4)CAS
Melting Point 78 °C Solv: ligroine (8032-32-4) (5)IC
Melting Point 76-77 °C Solv: ligroine (8032-32-4) (6)IC
Melting Point 76 °C   (7)IC

Specification

98%

References
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  6. (6) McGillivray, George; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) 1983, (3), P633-6 CAPLUS
  7. (7) Treibs, Alfred; Justus Liebigs Annalen der Chemie 1978, (2), P289-305 CAPLUS
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  10. (10) Johnson, A. W.; Journal of the Chemical Society 1958, P4254-7 CAPLUS
  11. (11) Treibs, Alfred; Liebigs Annalen der Chemie 1981, (5), P842-8 CAPLUS
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