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CS-W001157 4
Total: USD 88.00

5-Formyl-3-methyl-1H-pyrrole-2-carboxylic acid

  • CAS No. 134209-74-8

  • Cat. No. CS-0444985
  • Purity≥98%
  • MDL No.None

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

5-Formyl-3-methyl-1H-pyrrole-2-carboxylic acid|CS-0444985

Structure of 134209-74-8

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General Information

  • CAS No. 134209-74-8
  • Cat. No. CS-0444985
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇NO₃
  • Molecular Weight 153.14
  • Synonym(s) 1H-Pyrrole-2-carboxylic acid, 5-formyl-3-methyl- (9CI)
  • SMILES CC1=C(C(=O)O)NC(=C1)C=O

Synthesis

  • Route1
    • Ethyl 5-formyl-3-methyl-1h-pyrrole-2-carboxylate|CS-0238892
      26018-30-4
    • ~87%
    • 5-Formyl-3-methyl-1H-pyrrole-2-carboxylic acid|CS-0444985
      134209-74-8

    References

    • Sun; Cui, Jean; Liang, Congxin; Zhou, Yong; Nematalla, Asaad; Wang, Xueyan; Chen, Hui; Tang, Cho; Wei, James Bioorganic and medicinal chemistry letters, 2002 , vol. 12, # 16 p. 2153 - 2157
  • Route2
    • null|null
      94781-44-9
    • ~82%
    • 5-Formyl-3-methyl-1H-pyrrole-2-carboxylic acid|CS-0444985
      134209-74-8

    References

    • Montforts, Franz-Peter; Schwartz, Ulrich Manfred Liebigs Annalen der Chemie, 1991 , # 8 p. 709 - 726
  • Route3

    References

    • Montforts, Franz-Peter; Schwartz, Ulrich Manfred Liebigs Annalen der Chemie, 1991 , # 8 p. 709 - 726

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   70.16
  • LogP   0.83382
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   2

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