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1-(3,5-Dimethyl-1H-pyrazol-1-yl)ethan-1-one

  • CAS No. 10199-63-0

  • Cat. No. CS-0440021
  • Molecule weight138.17
  • Purity≥98%
  • MDL No.None

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

1-(3,5-Dimethyl-1H-pyrazol-1-yl)ethan-1-one|CS-0440021

Structure of 10199-63-0

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General Information

  • CAS No. 10199-63-0
  • Cat. No. CS-0440021
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₀N₂O
  • Molecular Weight 138.17
  • Synonym(s) 1-(3,5-DiMethyl-pyrazol-1-yl)-ethanone
  • SMILES CC1=NN(C(=C1)C)C(=O)C

Synthesis

  • Route1

    References

    • Tetrahedron Letters, , vol. 54, # 12 p. 1538 - 1541
  • Route2
    • null|null
      67-51-6
    • null|null
      108-24-7
    • ~93%
    • 1-(3,5-Dimethyl-1H-pyrazol-1-yl)ethan-1-one|CS-0440021
      10199-63-0

    References

    • Organic Letters, , vol. 7, # 6 p. 979 - 981
  • Route3
    • null|null
      67-51-6
    • null|null
      75-36-5
    • ~47%
    • 1-(3,5-Dimethyl-1H-pyrazol-1-yl)ethan-1-one|CS-0440021
      10199-63-0

    References

    • Synthesis, , # 1 p. 61 - 65

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

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Computational Chemistry Data

  • TPSA   34.89
  • LogP   1.16004
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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