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Ethyl 3-(tert-butyl)-1-methyl-1H-pyrazole-5-carboxylate

  • CAS No. 133261-10-6

  • Cat. No. CS-0206522
  • Molecule weight210.27
  • Purity≥98%
  • MDL No.MFCD00085059

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

Ethyl 3-(tert-butyl)-1-methyl-1H-pyrazole-5-carboxylate|CS-0206522

Structure of 133261-10-6

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General Information

  • CAS No. 133261-10-6
  • Cat. No. CS-0206522
  • Purity ≥98%
  • MDL No. MFCD00085059
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₈N₂O₂
  • Molecular Weight 210.27
  • Synonym(s) ethyl 5-tert-butyl-2-methylpyrazole-3-carboxylate
  • SMILES CCOC(=O)C1=CC(=NN1C)C(C)(C)C

Synthesis

  • Route1

    References

    • Galapagos NV Patent: WO2009/71706 A1, 2009 ; Location in patent: Page/Page column 43-44 ; WO 2009/071706 A1
  • Route2

    References

    • US2011/218197 A1, ; Page/Page column 44 ; US 20110218197 A1
  • Route3
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    • Ethyl 3-(tert-butyl)-1-methyl-1H-pyrazole-5-carboxylate|CS-0206522
      133261-10-6
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      194289-30-0

    References

    • Journal of Organic Chemistry, , vol. 62, # 17 p. 5908 - 5919

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   1.8943
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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