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CS-W001157 4
Total: USD 88.00

4-Benzoyl-3-methyl-1-phenyl-5-pyrazolone

  • CAS No. 4551-69-3

  • Cat. No. CS-W012295
  • Purity≥98%
  • MDL No.MFCD00003136

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

4-Benzoyl-3-methyl-1-phenyl-5-pyrazolone|CS-W012295

Structure of 4551-69-3

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General Information

  • CAS No. 4551-69-3
  • Cat. No. CS-W012295
  • Purity ≥98%
  • MDL No. MFCD00003136
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₇H₁₄N₂O₂
  • Molecular Weight 278.31
  • Synonym(s) None
  • SMILES O=C(C1C(N(C2=CC=CC=C2)N=C1C)=O)C3=CC=CC=C3

Synthesis

  • Route1
    • null|null
      98-88-4
    • Edaravone solution|CS-1692864
      89-25-8
    • ~76%
    • 4-Benzoyl-3-methyl-1-phenyl-5-pyrazolone|CS-W012295
      4551-69-3

    References

    • Kimata, Ayako; Nakagawa, Hidehiko; Ohyama, Ryo; Fukuuchi, Tomoko; Ohta, Shigeru; Suzuki, Takayoshi; Miyata, Naoki Journal of Medicinal Chemistry, 2007 , vol. 50, # 21 p. 5053 - 5056
  • Route2

    References

    • Xu, Li; Wang, Zheng-Kun; Sun, Yin-Xia; Zhang, Yu-Jie; Dong, Xiu-Yan Asian Journal of Chemistry, 2013 , vol. 25, # 13 p. 7627 - 7628
  • Route3
    • null|null
      123-91-1
    • In-stock
      5-Methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one|CS-0172114
      19735-89-8
    • null|null
      98-88-4
    • ~%
    • 4-Benzoyl-3-methyl-1-phenyl-5-pyrazolone|CS-W012295
      4551-69-3

    References

    • Jensen Acta Chemica Scandinavica (1947-1973), 1959 , vol. 13, p. 1668

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   49.74
  • LogP   2.9082
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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