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CS-W001157 4
Total: USD 88.00

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

  • CAS No. 81303-65-3

  • Cat. No. CS-0055092
  • Purity≥98%
  • MDL No.None

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

4-(Ethoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid|CS-0055092

Structure of 81303-65-3

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General Information

  • CAS No. 81303-65-3
  • Cat. No. CS-0055092
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₀N₂O₄
  • Molecular Weight 198.18
  • Synonym(s) 4-Ethoxycarbonyl-2-methyl-pyrazole-3-carboxylic acid
  • SMILES O=C(C1=C(C(OCC)=O)C=NN1C)O

Synthesis

  • Route1

    References

    • WO2014/27009 A1, ; Page/Page column 13; 14 ;
  • Route2
    • diethyl 2-((dimethylamino)methylene)-3-oxosuccinate|CS-0771472
      130187-88-1
    • ~%
    • In-stock
      4-(Ethoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid|CS-0055092
      81303-65-3

    References

    • US2011/71128 A1, ;

Safety Information

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

Quality Control

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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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