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CAS Number: 54278-10-3
ethyl 4-(3-ethoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

Structure

ethyl 4-(3-ethoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Name: ethyl 4-(3-ethoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Synonyms:
General Information
Product Number: 54278103
CAS Registry Number: 54278-10-3
Name:
1H-​Pyrrole-​3-​propanoic acid, 5-​(ethoxycarbonyl)​-​2,​4-​dimethyl-​, ethyl ester
Pyrrole-​3-​propionic acid, 5-​carboxy-​2,​4-​dimethyl-​, diethyl ester (6CI,​7CI); 2-​Ethoxycarbonyl-​4-​(2-​ethoxycarbonylethyl)​-​3,​5-​dimethylpyrrole; NSC 157290 
 
Chemical Formula: C14H21NO4
Exact Mass: 267.15
Molecular Weight: 267.32
m/z: 267.15 (100.0%), 268.15 (15.5%), 269.15 (2.0%)
Elemental Analysis: C, 62.90; H, 7.92; N, 5.24; O, 23.94
 
InChI: InChI=1S/C14H21NO4/c1-5-18-12(16)8-7-11-9(3)13(15-10(11)4)14(17)19-6-2/h15H,5-8H2,1-4H3
InChIKey: ZYNJVGCLOFPWFZ-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)CCC1=C(NC(=C1C)C(=O)OCC)C
 
Thermal Properties Value Condition Note
Boiling Point 165-170 °C Press: 0.02 Torr (1)CAS
Melting Point 73 °C   (2)CAS
Melting Point 72-73 °C   (3)IC

Specification

98%

References
  1. (1) Badger, G. M.; Australian Journal of Chemistry 1964, V17(9), P987-1001 CAPLUS
  2. (2) Fischer, Hans; Justus Liebigs Annalen der Chemie 1930, V484, P113-30 CAPLUS
  3. (3) Shrout, David P.; Synthesis 1990, (11), P1062-5 CAPLUS
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