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CS-W001157 4
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3,4,4-Trimethyl-1H-pyrazol-5(4H)-one

  • CAS No. 3201-20-5

  • Cat. No. CS-0080689
  • Molecule weight126.16
  • Purity≥98%
  • MDL No.None

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

3,4,4-Trimethyl-1H-pyrazol-5(4H)-one|CS-0080689

Structure of 3201-20-5

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General Information

  • CAS No. 3201-20-5
  • Cat. No. CS-0080689
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₀N₂O
  • Molecular Weight 126.16
  • Synonym(s) 2,4-Dihydro-4,4,5-trimethyl-3H-pyrazol-3-one
  • SMILES O=C1NN=C(C)C1(C)C

Synthesis

  • Route1
    • Ethyl 2,2-dimethyl-3-oxobutanoate|CS-0134663
      597-04-6
    • ~%
    • In-stock
      3,4,4-Trimethyl-1H-pyrazol-5(4H)-one|CS-0080689
      3201-20-5

    References

    • Keay; Rodrigo Journal of the American Chemical Society, 1982 , vol. 104, # 17 p. 4725 - 4727
  • Route2
    • null|null
      82544-97-6
    • ~%
    • In-stock
      3,4,4-Trimethyl-1H-pyrazol-5(4H)-one|CS-0080689
      3201-20-5

    References

    • Keay; Rodrigo Journal of the American Chemical Society, 1982 , vol. 104, # 17 p. 4725 - 4727
  • Route3

    References

    • Backer; Meyer Recueil des Travaux Chimiques des Pays-Bas, 1926 , vol. 45, p. 94 Full Text Show Details Verkade; Dhont Recueil des Travaux Chimiques des Pays-Bas, 1945 , vol. 64, p. 165,172

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   41.46
  • LogP   0.5183
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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