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Ethyl 5-amino-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate

  • CAS No. 138907-68-3

  • Cat. No. CS-0074803
  • Purity≥98%
  • MDL No.None

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

Ethyl 5-amino-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate|CS-0074803

Structure of 138907-68-3

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General Information

  • CAS No. 138907-68-3
  • Cat. No. CS-0074803
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₂FN₃O₂
  • Molecular Weight 249.24
  • Synonym(s) ETHYL 5-AMINO-1-(4-FLUOROPHENYL)PYRAZOLE-4-CARBOXYLATE
  • SMILES NC1=C(C(OCC)=O)C=NN1C(C=C2)=CC=C2F

Synthesis

  • Route1

    References

    • CHROMA THERAPEUTICS LTD. Patent: WO2008/53136 A1, 2008 ; Location in patent: Page/Page column 35-36 ; WO 2008/053136 A1
  • Route2

    References

    • Pfizer Inc. Patent: US5064851 A1, 1991 ; US 5064851 A
  • Route3

    References

    • Sutherland, Hamish S.; Blaser, Adrian; Kmentova, Iveta; Franzblau, Scott G.; Wan, Baojie; Wang, Yuehong; Ma, Zhenkun; Palmer, Brian D.; Denny, William A.; Thompson, Andrew M. Journal of Medicinal Chemistry, 2010 , vol. 53, # 2 p. 855 - 866

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   70.14
  • LogP   1.7703
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   3

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