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CS-W001157 4
Total: USD 88.00

ethyl 1,4-dimethylpyrazole-3-carboxylate

  • CAS No. 68809-65-4

  • Cat. No. CS-0061606
  • Purity≥97%
  • MDL No.None

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

ethyl 1,4-dimethylpyrazole-3-carboxylate|CS-0061606

Structure of 68809-65-4

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General Information

  • CAS No. 68809-65-4
  • Cat. No. CS-0061606
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₂N₂O₂
  • Molecular Weight 168.19
  • Synonym(s) ethyl 1,4-dimethyl-1H-pyrazole-3-carboxylate
  • SMILES CCOC(=O)C1=NN(C)C=C1C

Synthesis

  • Route1
    • In-stock
      Ethyl 4-methyl-1H-pyrazole-3-carboxylate|CS-W022694
      6076-12-6
    • null|null
      74-88-4
    • ~45%
    • Ethyl 1,4-dimethyl-1H-pyrazole-5-carboxylate|CS-0055082
      68809-64-3
    • ethyl 1,4-dimethylpyrazole-3-carboxylate|CS-0061606
      68809-65-4

    References

    • Huppatz; Phillips; Witrzens Agricultural and Biological Chemistry, 1984 , vol. 48, # 1 p. 45 - 50
  • Route2
    • null|null
      64-17-5
    • null|null
      7339-53-9
    • (3E)-1,1,1-Trichloro-4-ethoxy-3-methylbut-3-en-2-one|CS-0727622
      121781-57-5
    • ~%
    • Ethyl 1,4-dimethyl-1H-pyrazole-5-carboxylate|CS-0055082
      68809-64-3
    • ethyl 1,4-dimethylpyrazole-3-carboxylate|CS-0061606
      68809-65-4

    References

    • Martins, Marcos A. P.; Freitag, Rogerio A.; Da Rosa, Adriano; Flores, Alex F. C.; Zanatta, Nilo; Bonacorso, Helio G. Journal of Heterocyclic Chemistry, 1999 , vol. 36, # 1 p. 217 - 220

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   44.12
  • LogP   0.90522
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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