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CS-W001157 4
Total: USD 88.00

1-Benzyl-3,5-dimethyl-1H-pyrazole-4-carbaldehyde

  • CAS No. 2644-94-2

  • Cat. No. CS-0450335
  • Purity≥98%
  • MDL No.None

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

1-Benzyl-3,5-dimethyl-1H-pyrazole-4-carbaldehyde|CS-0450335

Structure of 2644-94-2

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General Information

  • CAS No. 2644-94-2
  • Cat. No. CS-0450335
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₄N₂O
  • Molecular Weight 214.26
  • Synonym(s) 3,5-dimethyl-1-benzylpyrazole-4-carbaldehyde
  • SMILES CC1=NN(CC2=CC=CC=C2)C(=C1C=O)C

Synthesis

  • Route1
    • 1-Benzyl-3,5-dimethyl-1H-pyrazole|CS-0219738
      1134-81-2
    • null|null
      68-12-2
    • ~72%
    • In-stock
      1-Benzyl-3,5-dimethyl-1H-pyrazole-4-carbaldehyde|CS-0450335
      2644-94-2

    References

    • ELI LILLY AND COMPANY Patent: WO2008/141020 A1, 2008 ; Location in patent: Page/Page column 55 ; WO 2008/141020 A1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H301-H315-H319
Precautionary Statements : P264-P270-P280-P302+P352-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   34.89
  • LogP   2.36074
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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