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CS-W001157 4
Total: USD 88.00

3-(1-Methyl-1H-pyrazol-5-yl)benzonitrile

  • CAS No. 179055-95-9

  • Cat. No. CS-0336767
  • Purity≥98%
  • MDL No.None

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

3-(1-Methyl-1H-pyrazol-5-yl)benzonitrile|CS-0336767

Structure of 179055-95-9

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General Information

  • CAS No. 179055-95-9
  • Cat. No. CS-0336767
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₉N₃
  • Molecular Weight 183.21
  • Synonym(s) 3-(2-methyl-2H-pyrazol-3-yl)benzonitrile
  • SMILES N#CC1=CC=CC(C2=CC=NN2C)=C1

Synthesis

  • Route1
    • null|null
      930-36-9
    • In-stock
      3-Bromobenzonitrile|CS-W003968
      6952-59-6
    • ~59%
    • 3-(1-Methyl-1H-pyrazol-4-yl)benzonitrile|CS-1028995
      179055-94-8
    • 3-(1-Methyl-1H-pyrazol-5-yl)benzonitrile|CS-0336767
      179055-95-9

    References

    • Beladhria, Anissa; Beydoun, Kassem; Ammar, Hamed Ben; Salem, Ridha Ben; Doucet, Henri Synthesis, 2011 , # 16 art. no. C22411SS, p. 2553 - 2560
  • Route2
    • 3-(3-(Dimethylamino)acryloyl)benzonitrile|CS-0521690
      179055-13-1
    • null|null
      60-34-4
    • ~29%
    • 3-(1-Methyl-1H-pyrazol-3-yl)benzonitrile|CS-0518714
      207909-05-5
    • 3-(1-Methyl-1H-pyrazol-5-yl)benzonitrile|CS-0336767
      179055-95-9

    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

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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   41.61
  • LogP   1.95878
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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