Cas no 2199-55-5 (1H-Pyrrole-2,5-dicarboxylicacid, 3,4-dimethyl-, 2,5-diethyl ester)

1H-Pyrrole-2,5-dicarboxylicacid, 3,4-dimethyl-, 2,5-diethyl ester structure
2199-55-5 structure
Product Name:1H-Pyrrole-2,5-dicarboxylicacid, 3,4-dimethyl-, 2,5-diethyl ester
CAS No:2199-55-5
MF:C12H17NO4
MW:239.267683744431
CID:275205
PubChem ID:75526
Update Time:2025-04-19

1H-Pyrrole-2,5-dicarboxylicacid, 3,4-dimethyl-, 2,5-diethyl ester Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrrole-2,5-dicarboxylicacid, 3,4-dimethyl-, 2,5-diethyl ester
    • 1H-Pyrrole-2,5-dicarboxylicacid, 3,4-dimethyl-, diethyl ester (9CI)
    • 3,4-Dimethyl-2,5-dicarbethoxypyrrole
    • Pyrrole-2,5-dicarboxylic acid,3,4-dimethyl-, diethyl ester (6CI,7CI,8CI)
    • 1H-Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, diethyl ester
    • Maybridge1_002159
    • F0278-0013
    • EN300-16155
    • NSC-5685
    • Oprea1_790616
    • Diethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
    • AC-907/34129058
    • Diethyl 3,5-dimethylpyrrole-2,4-dicarboxylate
    • Diethyl3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
    • Diethyl 2,4-dimethylpyrrole-3,5-dicarboxylate
    • BCP30979
    • Diethyl 3,4-dicarboxylate
    • Diethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate #
    • Z55020877
    • FT-0602119
    • Oprea1_504281
    • HMS2254P09
    • SR-01000390722-1
    • CHEMBL1596751
    • 2,4-Dimethyl-3,5-dicarbethoxy-pyrrole
    • AB00431633-04
    • DTXSID60947225
    • AI3-19854
    • BP-13271
    • W-107328
    • SB62065
    • AKOS000264905
    • NS00047657
    • 2,4-Dimethyl-3,5-diethoxycarbonyl-pyrrole
    • NS-00073
    • VU0237477-6
    • 2199-55-5
    • CS-0015690
    • Diethyl 3,5-Dimethyl-2,4-pyrroledicarboxylate
    • CBDivE_014124
    • A5025
    • 3,5-Dimethyl-2,4-pyrroledicarboxylic Acid Diethyl Ester
    • 3 pound not5-Dimethyl-1H-pyrrole-2 pound not4-dicarboxylic acid diethyl ester
    • AC-6178
    • 1H-Pyrrole-2, 3,5-dimethyl-, diethyl ester
    • Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, diethyl ester
    • D4012
    • Diethyl 2,4-dimethyl-1H-pyrrole-3,5-dicarboxylate
    • SR-01000390722
    • AMY22159
    • 2,5-dicarbethoxypyrrole
    • SMR000015719
    • HMS547K03
    • SCHEMBL69310
    • Pyrrole-2, 3,5-dimethyl-, diethyl ester
    • SY014676
    • BRD-K64995033-001-07-5
    • NSC 2046
    • 2,4-Diethoxycarbonyl-3,5-dimethylpyrrole
    • 1H-Pyrrole, 2,4-dimethyl-3,5-diethoxycarbonyl-
    • 3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylicaciddiethylester
    • 3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester
    • NSC-2046
    • Knorr's pyrrole
    • Pyrrole-3,5-bis(carboxylic acid), 2,4-dimethyl-, diethyl ester
    • BUTYLCROTONATE
    • MLS000100631
    • diethyl 5-methyl-3-methyl-1H-pyrrole-2,4-dicarboxylate
    • 2,4-diethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
    • CCG-103299
    • BB 0242420
    • 2,4-Dimethyl-3,5-dicarbethoxypyrrole
    • Diethyl 2 ,4-dimethylpyrrole-3,5-dicarboxylate
    • 2436-79-5
    • NSC5685
    • Diethyl 2,4-dimethylpyrrole-3,5-dicarboxylate, 97%
    • NSC2046
    • MFCD00005218
    • NSC 5685
    • EINECS 219-431-2
    • 3,5-Dimethyl-2,4-pyrroledicarboxylic acid, diethyl ester
    • 3,5-Dimethyl-2,4-pyrrole dicarboxylic acid, diethyl ester
    • Inchi： 1S/C12H17NO4/c1-5-16-11(14)9-7(3)10(13-8(9)4)12(15)17-6-2/h13H,5-6H2,1-4H3
    • InChI Key： XSBSXJAYEPDGSF-UHFFFAOYSA-N
    • SMILES： O(CC)C(C1=C(C)NC(C(=O)OCC)=C1C)=O

Computed Properties

  • Exact Mass: 239.11581
  • Monoisotopic Mass: 239.115758
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 6
  • Complexity: 292
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 68.4
  • XLogP3: 2.2

Experimental Properties

  • Density: 1.144
  • Boiling Point: 372.3°Cat760mmHg
  • Flash Point: 179°C
  • PSA: 68.39

1H-Pyrrole-2,5-dicarboxylicacid, 3,4-dimethyl-, 2,5-diethyl ester Related Literature

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