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CAS Number: 7126-50-3
ethyl 5-formyl-1H-pyrrole-2-carboxylate

Structure

ethyl 5-formyl-1H-pyrrole-2-carboxylate
Name: ethyl 5-formyl-1H-pyrrole-2-carboxylate
Synonyms:
General Information
Product Number: 7126503
CAS Registry Number: 7126-50-3
Name:
        1H-​Pyrrole-​2-​carboxylic acid, 5-​formyl-​, ethyl ester
        Pyrrole-​2-​carboxylic acid, 5-​formyl-​, ethyl ester (7CI,​8CI); 2-​Formyl-​5-​(ethoxycarbonyl)​pyrrole; 5-​Formyl-​1H-​pyrrole-​2-​carboxylic acid ethyl ester; Ethyl 5-​formylpyrrole-​2-​carboxylate; NSC 272667 
 
Chemical Formula: C8H9NO3
Exact Mass: 167.06
Molecular Weight: 167.16
m/z: 167.06 (100.0%), 168.06 (9.2%)
Elemental Analysis: C, 57.48; H, 5.43; N, 8.38; O, 28.71
 
InChI: InChI=1S/C8H9NO3/c1-2-12-8(11)7-4-3-6(5-10)9-7/h3-5,9H,2H2,1H3
InChIKey: HTPFMOGFQKDFHX-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CC=C(N1)C=O
 
Thermal Properties Value Condition Note
Boiling Point 96-100 °C   (1)CAS
Boiling Point 82-86 °C Press: 0.05 Torr (2)CAS
Melting Point 75 °C Solv: ligroine (8032-32-4) (2)CAS
Melting Point 73-74 °C   (3)IC
Melting Point 72.5-73.5 °C   (4)CAS
Melting Point 72-74 °C   (5)IC
 
 

Specification

98%

References
  1. (1) Khan, M. K. A.; Tetrahedron 1966, V22(7), P2095-2105 CAPLUS
  2. (2) Davies, W. A. M.; Tetrahedron 1962, V18, P405-12 CAPLUS
  3. (3) Bray, Brian L.; Helvetica Chimica Acta 1988, V71(8), P2053-7 CAPLUS
  4. (4) Reichstein, Tadeus; Helvetica Chimica Acta 1930, V13, P349-56 CAPLUS
  5. (5) Rawal, Viresh H.; Tetrahedron Letters 1985, V26(50), P6141-2 CAPLUS
  6. (6) Player, Mark R.; US 20050131022 A1 2005 CAPLUS
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