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CS-W001157 4
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Ethyl 3-(furan-2-yl)-1-methyl-1H-pyrazole-5-carboxylate

  • CAS No. 104295-62-7

  • Cat. No. CS-0547854
  • Molecule weight220.22
  • Purity≥98%
  • MDL No.None

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

Ethyl 3-(furan-2-yl)-1-methyl-1H-pyrazole-5-carboxylate|CS-0547854

Structure of 104295-62-7

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General Information

  • CAS No. 104295-62-7
  • Cat. No. CS-0547854
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂N₂O₃
  • Molecular Weight 220.22
  • Synonym(s) Ethyl 3-(furan-2-yl)-1-methyl-1H-pyrazol-5-carboxylate
  • SMILES CCOC(=O)C1=CC(=NN1C)C2=CC=CO2

Synthesis

  • Route1
    • Ethyl 4-(furan-2-yl)-2,4-dioxobutanoate|CS-0122052
      36983-35-4
    • null|null
      60-34-4
    • ~%
    • Ethyl 5-(furan-2-yl)-1-methyl-1H-pyrazole-3-carboxylate|CS-0339669
      104296-35-7
    • Ethyl 3-(furan-2-yl)-1-methyl-1H-pyrazole-5-carboxylate|CS-0547854
      104295-62-7

    References

    • Fustero, Santos; Roman, Raquel; Sanz-Cervera, Juan F.; Simon-Fuentes, Antonio; Cunat, Ana C.; Villanova, Salvador; Murguia, Marcelo Journal of Organic Chemistry, 2008 , vol. 73, # 9 p. 3523 - 3529
  • 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
    • ~%
    • Ethyl 3-(furan-2-yl)-1-methyl-1H-pyrazole-5-carboxylate|CS-0547854
      104295-62-7

    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   57.26
  • LogP   1.8568
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   3

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