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CS-W001157 4
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tert-Butyl 3-methyl-1H-pyrazole-1-carboxylate

  • CAS No. 186551-70-2

  • Cat. No. CS-0152730
  • Purity≥98%
  • MDL No.MFCD21609566

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

tert-Butyl 3-methyl-1H-pyrazole-1-carboxylate|CS-0152730

Structure of 186551-70-2

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General Information

  • CAS No. 186551-70-2
  • Cat. No. CS-0152730
  • Purity ≥98%
  • MDL No. MFCD21609566
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₄N₂O₂
  • Molecular Weight 182.22
  • Synonym(s) tert-Butyl 3-Methylpyrazole-1-carboxylate
  • SMILES CC1=NN(C=C1)C(=O)OC(C)(C)C

Synthesis

  • Route1

    References

    • Ewing, William R.; Becker, Michael R.; Manetta, Vincent E.; Davis, Roderick S.; Pauls, Henry W.; Mason, Helen; Choi-Sledeski, Yong Mi; Green, Daniel; Cha, Don; Spada, Alfred P.; Cheney, Daniel L.; Mason, Jonathan S.; Maignan, Sebastien; Guilloteau, Jean-Pierre; Brown, Karen; Colussi, Dennis; Bentley, Ross; Bostwick, Jeff; Kasiewski, Charles J.; Morgan, Suzanne R.; Leadley, Robert J.; Dunwiddie, Christopher T.; Perrone, Mark H.; Chu, Valeria Journal of Medicinal Chemistry, 1999 , vol. 42, # 18 p. 3557 - 3571

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   44.12
  • LogP   1.97472
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   0

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