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CS-W001157 4
Total: USD 88.00

4-Acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid

  • CAS No. 2386-28-9

  • Cat. No. CS-0076896
  • Purity≥98%
  • MDL No.MFCD00022374

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

4-Acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid|CS-0076896

Structure of 2386-28-9

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General Information

  • CAS No. 2386-28-9
  • Cat. No. CS-0076896
  • Purity ≥98%
  • MDL No. MFCD00022374
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁NO₃
  • Molecular Weight 181.19
  • Synonym(s) 3,5-dimethyl-4-acetylpyrrole-2-carboxylic acid
  • SMILES O=C(O)C1=C(C)C(C(C)=O)=C(C)N1

Synthesis

  • Route1
    • null|null
      2386-27-8
    • ~%
    • In-stock
      4-Acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid|CS-0076896
      2386-28-9

    References

    • Beshara, Cory S.; Thompson, Alison Journal of Organic Chemistry, 2005 , vol. 70, # 25 p. 10607 - 10610
  • Route2
    • Ethyl 4-acetyl-3,5-dimethyl-1h-pyrrole-2-carboxylate|CS-0298816
      2386-26-7
    • ~%
    • In-stock
      4-Acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid|CS-0076896
      2386-28-9

    References

    • Zanetti; Levi Gazzetta Chimica Italiana, 1894 , vol. 24 I, p. 551

Safety Information

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

Quality Control

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Computational Chemistry Data

  • TPSA   70.16
  • LogP   1.53234
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   2

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