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CS-W001157 4
Total: USD 88.00

3-(1-Methyl-1H-pyrazol-3-yl)benzaldehyde

  • CAS No. 179056-79-2

  • Cat. No. CS-0521691
  • Purity≥98%
  • MDL No.MFCD08669912

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

3-(1-Methyl-1H-pyrazol-3-yl)benzaldehyde|CS-0521691

Structure of 179056-79-2

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General Information

  • CAS No. 179056-79-2
  • Cat. No. CS-0521691
  • Purity ≥98%
  • MDL No. MFCD08669912
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀N₂O
  • Molecular Weight 186.21
  • Synonym(s) None
  • SMILES O=CC1=CC=CC(C2=NN(C)C=C2)=C1

Synthesis

  • Route1
    • 3-(1-Methyl-1H-pyrazol-3-yl)benzonitrile|CS-0518714
      207909-05-5
    • ~86%
    • 3-(1-Methyl-1H-pyrazol-3-yl)benzaldehyde|CS-0521691
      179056-79-2

    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
  • Route2

    References

    • Journal of Medicinal Chemistry, , vol. 41, # 13 p. 2390 - 2410
  • Route3
    • 3-(3-(Dimethylamino)acryloyl)benzonitrile|CS-0521690
      179055-13-1
    • ~%
    • 3-(1-Methyl-1H-pyrazol-3-yl)benzaldehyde|CS-0521691
      179056-79-2

    References

    • Journal of Medicinal Chemistry, , 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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   34.89
  • LogP   1.8996
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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