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CS-W001157 4
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Ethyl 3-methyl-1-phenyl-1H-pyrazole-5-carboxylate

  • CAS No. 81153-63-1

  • Cat. No. CS-0197439
  • Molecule weight230.26
  • Purity≥97%
  • MDL No.None

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

Ethyl 3-methyl-1-phenyl-1H-pyrazole-5-carboxylate|CS-0197439

Structure of 81153-63-1

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General Information

  • CAS No. 81153-63-1
  • Cat. No. CS-0197439
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₄N₂O₂
  • Molecular Weight 230.26
  • Synonym(s) Ethyl 3-methyl-1-phenylpyrazole-5-carboxylate
  • SMILES CCOC(=O)C1=CC(=NN1C2=CC=CC=C2)C

Synthesis

  • Route1
    • null|null
      100-63-0
    • Ethyl 2-(methoxyimino)-4-oxopentanoate|CS-0480101
      82874-96-2
    • ~25%
    • Ethyl 3-methyl-1-phenyl-1H-pyrazole-5-carboxylate|CS-0197439
      81153-63-1

    References

    • Pruitt, James R.; Pinto, Donald J. P.; Galemmo Jr., Robert A.; Alexander, Richard S.; Rossi, Karen A.; Wells, Brian L.; Drummond, Spencer; Bostrom, Lori L.; Burdick, Debra; Bruckner, Robert; Chen, Haiying; Smallwood, Angela; Wong, Pancras C.; Wright, Matthew R.; Bai, Steven; Luettgen, Joseph M.; Knabb, Robert M.; Lam, Patrick Y. S.; Wexler, Ruth R. Journal of Medicinal Chemistry, 2003 , vol. 46, # 25 p. 5298 - 5315
  • Route2

    References

    • Journal of Medicinal Chemistry, , vol. 46, # 25 p. 5298 - 5315
  • Route3
    • null|null
      100-63-0
    • In-stock
      Ethyl 2,4-dioxovalerate|CS-0007580
      615-79-2
    • ~35%
    • Ethyl 3-methyl-1-phenyl-1H-pyrazole-5-carboxylate|CS-0197439
      81153-63-1
    • Ethyl 5-methyl-1-phenyl-1H-pyrazole-3-carboxylate|CS-0455879
      81153-64-2

    References

    • Angewandte Chemie - International Edition, , vol. 49, # 15 p. 2790 - 2793

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

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Computational Chemistry Data

  • TPSA   44.12
  • LogP   2.35742
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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