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CS-W001157 4
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7-(Difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

  • CAS No. 438218-14-5

  • Cat. No. CS-0080330
  • Molecule weight227.17
  • Purity98+%
  • MDL No.MFCD02253706

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

7-(Difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid|CS-0080330

Structure of 438218-14-5

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General Information

  • CAS No. 438218-14-5
  • Cat. No. CS-0080330
  • Purity 98+%
  • MDL No. MFCD02253706
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇F₂N₃O₂
  • Molecular Weight 227.17
  • Synonym(s) 7-Difluoromethyl-5-methyl-pyrazolo-[1,5-a]pyrimidine-3-carboxylic acid
  • SMILES O=C(O)C1=C2N=C(C)C=C(C(F)F)N2N=C1

Synthesis

  • Route1
    • Ethyl 7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate|CS-0298889
      438218-16-7
    • ~%
    • 7-(Difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid|CS-0080330
      438218-14-5

    References

    • Patnaik, Samarjit; Zheng, Wei; Choi, Jae H.; Motabar, Omid; Southall, Noel; Westbroek, Wendy; Lea, Wendy A.; Velayati, Arash; Goldin, Ehud; Sidransky, Ellen; Leister, William; Marugan, Juan J. Journal of Medicinal Chemistry, 2012 , vol. 55, # 12 p. 5734 - 5748
  • Route2
    • 1,1-Difluoroacetylacetone|CS-0121254
      41739-23-5
    • ~%
    • 7-(Difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid|CS-0080330
      438218-14-5

    References

    • Patnaik, Samarjit; Zheng, Wei; Choi, Jae H.; Motabar, Omid; Southall, Noel; Westbroek, Wendy; Lea, Wendy A.; Velayati, Arash; Goldin, Ehud; Sidransky, Ellen; Leister, William; Marugan, Juan J. Journal of Medicinal Chemistry, 2012 , vol. 55, # 12 p. 5734 - 5748

Safety Information

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Quality Control

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Computational Chemistry Data

  • TPSA   67.49
  • LogP   1.67352
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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