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CS-W001157 4
Total: USD 88.00

5-(Furan-2-yl)-1-methyl-1H-pyrazole-3-carboxylic acid

  • CAS No. 108128-39-8

  • Cat. No. CS-0329703
  • Molecule weight192.17
  • Purity≥98%
  • MDL No.None

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

5-(Furan-2-yl)-1-methyl-1H-pyrazole-3-carboxylic acid|CS-0329703

Structure of 108128-39-8

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General Information

  • CAS No. 108128-39-8
  • Cat. No. CS-0329703
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈N₂O₃
  • Molecular Weight 192.17
  • Synonym(s) 5-(2-FURYL)-1-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID
  • SMILES CN1C(=CC(=N1)C(=O)O)C2=CC=CO2

Synthesis

  • Route1
    • Ethyl 5-(furan-2-yl)-1-methyl-1H-pyrazole-3-carboxylate|CS-0339669
      104296-35-7
    • ~%
    • 5-(Furan-2-yl)-1-methyl-1H-pyrazole-3-carboxylic acid|CS-0329703
      108128-39-8

    References

    • Musante; Fatutta Gazzetta Chimica Italiana, 1958 , vol. 88, p. 879,896
  • Route2

    References

    • Musante; Fatutta Gazzetta Chimica Italiana, 1958 , vol. 88, p. 879,896
  • Route3
    • Ethyl 4-(furan-2-yl)-2,4-dioxobutanoate|CS-0122052
      36983-35-4
    • ~%
    • 5-(Furan-2-yl)-1-methyl-1H-pyrazole-3-carboxylic acid|CS-0329703
      108128-39-8

    References

    • Musante; Fatutta Gazzetta Chimica Italiana, 1958 , vol. 88, p. 879,896

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   68.26
  • LogP   1.3783
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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