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CS-W001157 4
Total: USD 88.00

Methyl 4-(1H-pyrazol-3-yl)benzoate

  • CAS No. 179057-10-4

  • Cat. No. CS-0058755
  • Purity≥97%
  • MDL No.MFCD11226146

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

Methyl 4-(1H-pyrazol-3-yl)benzoate|CS-0058755

Structure of 179057-10-4

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General Information

  • CAS No. 179057-10-4
  • Cat. No. CS-0058755
  • Purity ≥97%
  • MDL No. MFCD11226146
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀N₂O₂
  • Molecular Weight 202.21
  • Synonym(s) Methyl 4-(3-pyrazolyl)benzoate
  • SMILES O=C(OC)C1=CC=C(C2=NNC=C2)C=C1

Synthesis

  • Route1

    References

    • TRIMERIS, INC. Patent: WO2007/103456 A2, 2007 ; Location in patent: Page/Page column 120 ;
  • Route2
    • Methyl 4-(3-(dimethylamino)acryloyl)benzoate|CS-0509502
      114431-72-0
    • ~97%
    • Methyl 4-(1H-pyrazol-3-yl)benzoate|CS-0058755
      179057-10-4

    References

    • Tanaka, Akira; Terasawa, Takeshi; Hagihara, Hiroyuki; Sakuma, Yuri; Ishibe, Noriko; Sawada, Masae; Takasugi, Hisashi; Tanaka, Hirokazu Journal of Medicinal Chemistry, 1998 , vol. 41, # 13 p. 2390 - 2410
  • Route3

    References

    • Tanaka, Akira; Terasawa, Takeshi; Hagihara, Hiroyuki; Sakuma, Yuri; Ishibe, Noriko; Sawada, Masae; Takasugi, Hisashi; Tanaka, Hirokazu Journal of Medicinal Chemistry, 1998 , vol. 41, # 13 p. 2390 - 2410

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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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