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Ethyl 5-oxo-1-phenyl-2,5-dihydro-1H-pyrazole-3-carboxylate

  • CAS No. 27241-29-8

  • Cat. No. CS-0560025
  • Molecule weight232.24
  • Purity≥98%
  • MDL No.None

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

Ethyl 5-oxo-1-phenyl-2,5-dihydro-1H-pyrazole-3-carboxylate|CS-0560025

Structure of 27241-29-8

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General Information

  • CAS No. 27241-29-8
  • Cat. No. CS-0560025
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₂N₂O₃
  • Molecular Weight 232.24
  • Synonym(s) 1H-Pyrazole-3-carboxylic acid,5-hydroxy-1-phenyl-,ethyl ester
  • SMILES CCOC(=O)C1=CC(=O)N(N1)C2=CC=CC=C2

Synthesis

  • Route1

    References

    • Ochi; Miyasaka Chemical and Pharmaceutical Bulletin, 1983 , vol. 31, # 4 p. 1228 - 1234
  • Route2
    • null|null
      64-17-5
    • null|null
      687-00-3
    • null|null
      59-88-1
    • ~92%
    • Ethyl 5-oxo-1-phenyl-2,5-dihydro-1H-pyrazole-3-carboxylate|CS-0560025
      27241-29-8

    References

    • Martins, Marcos A. P.; Pereira, Claudio M. P.; Zimmermann, Nilo E. K.; Moura, Sidnei; Sinhorin, Adilson P.; Cunico, Wilson; Zanatta, Nilo; Bonacorso, Helio G.; Flores, Alex C. F. Synthesis, 2003 , # 15 p. 2353 - 2357
  • Route3
    • null|null
      64-17-5
    • Ethyl 4,4,4-trichloroacetoacetate|CS-0204845
      3702-98-5
    • null|null
      59-88-1
    • ~91%
    • Ethyl 5-oxo-1-phenyl-2,5-dihydro-1H-pyrazole-3-carboxylate|CS-0560025
      27241-29-8

    References

    • Martins, Marcos A. P.; Pereira, Claudio M. P.; Zimmermann, Nilo E. K.; Moura, Sidnei; Sinhorin, Adilson P.; Cunico, Wilson; Zanatta, Nilo; Bonacorso, Helio G.; Flores, Alex C. F. Synthesis, 2003 , # 15 p. 2353 - 2357

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

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Computational Chemistry Data

  • TPSA   64.09
  • LogP   1.3423
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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