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CS-W001157 4
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Methyl 1-acetyl-1H-pyrrole-3-carboxylate

  • CAS No. 126481-00-3

  • Cat. No. CS-0506588
  • Purity≥98%
  • MDL No.None

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

Methyl 1-acetyl-1H-pyrrole-3-carboxylate|CS-0506588

Structure of 126481-00-3

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General Information

  • CAS No. 126481-00-3
  • Cat. No. CS-0506588
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉NO₃
  • Molecular Weight 167.16
  • Synonym(s) 1H-Pyrrole-3-carboxylic acid, 1-acetyl-, methyl ester (9CI)
  • SMILES O=C(C1=CN(C(C)=O)C=C1)OC

Synthesis

  • Route1
    • null|null
      126480-99-7
    • ~95%
    • Methyl 1-acetyl-1H-pyrrole-3-carboxylate|CS-0506588
      126481-00-3

    References

    • Tetrahedron, , vol. 45, # 20 p. 6439 - 6448
  • Route2
    • Methyl 2-Cyano-4,4-dimethoxybutanoate|CS-0769667
      113410-42-7
    • ~%
    • Methyl 1-acetyl-1H-pyrrole-3-carboxylate|CS-0506588
      126481-00-3

    References

    • Tetrahedron, , vol. 45, # 20 p. 6439 - 6448

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H315-H318-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   48.3
  • LogP   0.9348
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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