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CS-W001157 4
Total: USD 88.00

1-tert-Butyl-5-methyl-1h-pyrazole-4-carboxylic acid

  • CAS No. 288251-51-4

  • Cat. No. CS-0216378
  • Purity95+%
  • MDL No.None

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

1-tert-Butyl-5-methyl-1h-pyrazole-4-carboxylic acid|CS-0216378

Structure of 288251-51-4

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General Information

  • CAS No. 288251-51-4
  • Cat. No. CS-0216378
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₄N₂O₂
  • Molecular Weight 182.22
  • Synonym(s) 1-(tert-butyl)-5-methyl-1H-pyrazole-4-carboxylic acid
  • SMILES CC1=C(C=NN1C(C)(C)C)C(=O)O

Synthesis

  • Route1
    • Ethyl 1-(tert-butyl)-5-methyl-1H-pyrazole-4-carboxylate|CS-0496116
      98477-08-8
    • ~87%
    • 1-tert-Butyl-5-methyl-1h-pyrazole-4-carboxylic acid|CS-0216378
      288251-51-4

    References

    • WO2008/33999 A2, ; Page/Page column 85 ;
  • Route2
    • Methyl 1-tert-butyl-5-methyl-1h-pyrazole-4-carboxylate|CS-0232848
      950858-97-6
    • ~76%
    • 1-tert-Butyl-5-methyl-1h-pyrazole-4-carboxylic acid|CS-0216378
      288251-51-4

    References

    • US2007/225280 A1, ; Page/Page column 40 ; US 20070225280 A1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P362-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   55.12
  • LogP   1.64472
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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