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CS-W001157 4
Total: USD 88.00

Ethyl 1,4-dimethyl-1H-pyrazole-5-carboxylate

  • CAS No. 68809-64-3

  • Cat. No. CS-0055082
  • Purity≥97%
  • MDL No.None

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

Ethyl 1,4-dimethyl-1H-pyrazole-5-carboxylate|CS-0055082

Structure of 68809-64-3

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General Information

  • CAS No. 68809-64-3
  • Cat. No. CS-0055082
  • 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) 1H-Pyrazole-5-carboxylic acid, 1,4-dimethyl-, ethyl ester
  • SMILES O=C(C1=C(C)C=NN1C)OCC

Synthesis

  • Route1

    References

    • BIOENERGENIX; MCCALL, John; KELLY, Robert, C.; ROMERO, Donna, L. Patent: WO2014/66795 A1, 2014 ; Location in patent: Paragraph 0175 ;
  • Route2
    • In-stock
      Ethyl 4-methyl-1H-pyrazole-3-carboxylate|CS-W022694
      6076-12-6
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    • 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
  • Route3
    • (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

    References

    • BIOENERGENIX; MCCALL, John; KELLY, Robert, C.; ROMERO, Donna, L. Patent: WO2014/66795 A1, 2014 ;

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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