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CS-W001157 4
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Methyl 3-phenyl-1H-pyrazole-4-carboxylate

  • CAS No. 21031-22-1

  • Cat. No. CS-0361829
  • Molecule weight202.21
  • Purity≥98%
  • MDL No.None

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

Methyl 3-phenyl-1H-pyrazole-4-carboxylate|CS-0361829

Structure of 21031-22-1

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General Information

  • CAS No. 21031-22-1
  • Cat. No. CS-0361829
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀N₂O₂
  • Molecular Weight 202.21
  • Synonym(s) 1H-Pyrazole-4-carboxylic acid, 3-phenyl-, methyl ester
  • SMILES O=C(OC)C1=CNN=C1C2=CC=CC=C2

Synthesis

  • Route1
    • 3-Phenyl-1H-pyrazole-4-carboxylic acid|CS-0071912
      5504-65-4
    • null|null
      18107-18-1
    • ~%
    • Methyl 3-phenyl-1H-pyrazole-4-carboxylate|CS-0361829
      21031-22-1

    References

    • MERCK SHARP and; DOHME CORP.; BURGEY, Christopher, S.; POTTEIGER, Craig, M. Patent: WO2010/111059 A1, 2010 ; Location in patent: Page/Page column 54 ; WO 2010/111059 A1
  • Route2
    • (3,3,3-Trifluoroprop-1-yn-1-yl)benzene|CS-0570807
      772-62-3
    • ~%
    • Methyl 3-phenyl-1H-pyrazole-4-carboxylate|CS-0361829
      21031-22-1

    References

    • Kobayashi, Yoshiro; Yamashita, Toshinori; Takahashi, Katsuhiro; Kuroda, Hisashi; Kumadaki, Itsumaro Chemical and Pharmaceutical Bulletin, 1984 , vol. 32, # 11 p. 4402 - 4409
  • Route3
    • null|null
      67-56-1
    • 3-Phenyl-1H-pyrazole-4-carboxylic acid|CS-0071912
      5504-65-4
    • ~%
    • Methyl 3-phenyl-1H-pyrazole-4-carboxylate|CS-0361829
      21031-22-1

    References

    • v.Auwers; Ungemach Chemische Berichte, 1933 , vol. 66, p. 1209

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   54.98
  • LogP   1.8633
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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