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CS-W001157 4
Total: USD 88.00

3-Methyl-1H-pyrrole-2,4-dicarboxylic acid

  • CAS No. 3780-41-4

  • Cat. No. CS-0438094
  • Molecule weight169.13
  • Purity≥98%
  • MDL No.MFCD09991921

*For research and further manufacturing use only, not for direct human use.

3-Methyl-1H-pyrrole-2,4-dicarboxylic acid|CS-0438094

Structure of 3780-41-4

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General Information

  • CAS No. 3780-41-4
  • Cat. No. CS-0438094
  • Purity ≥98%
  • MDL No. MFCD09991921
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇NO₄
  • Molecular Weight 169.13
  • Synonym(s) 3-Methyl-pyrrole-2,4-dicarboxylic acid
  • SMILES O=C(C1=C(C)C(C(O)=O)=CN1)O

Synthesis

  • Route1
    • null|null
      519014-54-1
    • ~96%
    • 3-Methyl-1H-pyrrole-2,4-dicarboxylic acid|CS-0438094
      3780-41-4

    References

    • Olson, Steven H.; Slossberg, Llnon H. Tetrahedron Letters, 2003 , vol. 44, # 1 p. 61 - 63
  • Route2
    • Diethyl 3-methyl-1H-pyrrole-2,4-dicarboxylate|CS-M1178
      5448-16-8
    • ~%
    • 3-Methyl-1H-pyrrole-2,4-dicarboxylic acid|CS-0438094
      3780-41-4

    References

    • Nicolaus; Mangoni Gazzetta Chimica Italiana, 1955 , vol. 85, p. 1378,1392 Annali di Chimica (Rome, Italy), 1956 , vol. 46, p. 847,855
  • Route3
    • null|null
      4458-69-9
    • ~%
    • 3-Methyl-1H-pyrrole-2,4-dicarboxylic acid|CS-0438094
      3780-41-4

    References

    • Nicolaus; Mangoni Gazzetta Chimica Italiana, 1955 , vol. 85, p. 1378,1392 Annali di Chimica (Rome, Italy), 1956 , vol. 46, p. 847,855

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   90.39
  • LogP   0.71952
  • H_Acceptors   2
  • H_Donors   3
  • Rotatable_Bonds   2

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