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CS-W001157 4
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3-Hydroxy-5-methyl-pyrazole-1-carboxylic acid tert-butyl ester

  • CAS No. 915396-44-0

  • Cat. No. CS-0210575
  • Molecule weight198.22
  • Purity98+%
  • MDL No.MFCD22565664

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

3-Hydroxy-5-methyl-pyrazole-1-carboxylic acid tert-butyl ester|CS-0210575

Structure of 915396-44-0

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General Information

  • CAS No. 915396-44-0
  • Cat. No. CS-0210575
  • Purity 98+%
  • MDL No. MFCD22565664
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₄N₂O₃
  • Molecular Weight 198.22
  • Synonym(s) tert-Butyl 3-hydroxy-5-methyl-1H-pyrazole-1-carboxylate
  • SMILES CC1=CC(=NN1C(=O)OC(C)(C)C)O

Synthesis

  • Route1

    References

    • Diaz, Jose Luis; Cuberes, Rosa; Berrocal, Joana; Contijoch, Montserrat; Christmann, Ute; Fernandez, Ariadna; Port, Adriana; Holenz, Joerg; Buschmann, Helmut; Serafini, Maria Teresa; Burgueno, Javier; Zamanillo, Daniel; Merlos, Manuel; Vela, Jose Miguel; Almansa, Carmen; Laggner, Christian Journal of Medicinal Chemistry, 2012 , vol. 55, # 19 p. 8211 - 8224,14
  • Route2

    References

    • SAGAMI CHEMICAL RESEARCH CENTER; KAKEN PHARMACEUTICAL CO., LTD. Patent: WO2006/126692 A1, 2006 ; Location in patent: Page/Page column 24-25 ;

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
Precautionary Statements : P264-P280-P302+P352-P362+P364

Quality Control

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Computational Chemistry Data

  • TPSA   64.35
  • LogP   1.68032
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   0

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