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

  • CAS No. 18048-64-1

  • Cat. No. CS-B0773
  • Purity≥98%
  • MDL No.None

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

1-(3,4-Dimethylphenyl)-3-methyl-1H-pyrazol-5(4H)-one|CS-B0773

Structure of 18048-64-1

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General Information

  • CAS No. 18048-64-1
  • Cat. No. CS-B0773
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₄N₂O
  • Molecular Weight 202.25
  • Synonym(s) 3-Methyl-1-(3,4-dimethylphenyl)-2-pyrazolin-5-one; 3H-Pyrazol-3-one, 2-(3,4-dimethylphenyl)-2,4-dihydro-5-methyl-
  • SMILES O=C1N(C2=CC=C(C)C(C)=C2)N=C(C)C1

Synthesis

  • Route1
    • In-stock
      Ethyl acetoacetate|CS-0016216
      141-97-9
    • (3,4-Dimethylphenyl)hydrazine|CS-0445165
      13636-53-8
    • ~64%
    • In-stock
      1-(3,4-Dimethylphenyl)-3-methyl-1H-pyrazol-5(4H)-one|CS-B0773
      18048-64-1

    References

    • SmithKline Beecham Corporation Patent: US6720345 B1, 2004 ; Location in patent: Page column 10 ;

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   32.67
  • LogP   2.41604
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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