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3-(Ethoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid

  • CAS No. 199480-36-9

  • Cat. No. CS-0055634
  • Molecule weight198.18
  • Purity≥98%
  • MDL No.MFCD03419335

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

3-(Ethoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid|CS-0055634

Structure of 199480-36-9

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General Information

  • CAS No. 199480-36-9
  • Cat. No. CS-0055634
  • Purity ≥98%
  • MDL No. MFCD03419335
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₀N₂O₄
  • Molecular Weight 198.18
  • Synonym(s) 1H-Pyrazole-3,5-dicarboxylicacid,1-methyl-,3-ethylester(9CI)
  • SMILES O=C(C1=CC(C(OCC)=O)=NN1C)O

Synthesis

  • Route1
    • Ethyl 5-(furan-2-yl)-1-methyl-1H-pyrazole-3-carboxylate|CS-0339669
      104296-35-7
    • ~92%
    • 3-(Ethoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid|CS-0055634
      199480-36-9

    References

    • Fustero, Santos; Roman, Raquel; Sanz-Cervera, Juan F.; Simon-Fuentes, Antonio; Bueno, Jorge; Villanova, Salvador Journal of Organic Chemistry, 2008 , vol. 73, # 21 p. 8545 - 8552

Safety Information

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Computational Chemistry Data

  • TPSA   81.42
  • LogP   0.295
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   3

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