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CS-W001157 4
Total: USD 88.00

tert-Butyl 2-fluoro-4-nitrobenzoate

  • CAS No. 157665-46-8

  • Cat. No. CS-0199701
  • Purity≥97%
  • MDL No.None

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

tert-Butyl 2-fluoro-4-nitrobenzoate|CS-0199701

Structure of 157665-46-8

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General Information

  • CAS No. 157665-46-8
  • Cat. No. CS-0199701
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂FNO₄
  • Molecular Weight 241.22
  • Synonym(s) None
  • SMILES CC(C)(C)OC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])F

Synthesis

  • Route1

    References

    • DR. REDDY'S LABORATORIES LIMITED; DR. REDDY'S LABORATORIES, INC. Patent: WO2008/143649 A2, 2008 ; Location in patent: Page/Page column 49-50 ;
  • Route2

    References

    • Pharmacia and Upjohn Company Patent: US6441005 B1, 2002 ;
  • Route3

    References

    • Gordeev, Mikhail F.; Hackbarth, Corinne; Barbachyn, Michael R.; Banitt, Lee S.; Gage, James R.; Luehr, Gary W.; Gomez, Marcela; Trias, Joaquim; Morin, Sara E.; Zurenko, Gary E.; Parker, Christian N.; Evans, Jonathan M.; White, Richard J.; Patel, Dinesh V. Bioorganic and Medicinal Chemistry Letters, 2003 , vol. 13, # 23 p. 4213 - 4216

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   69.44
  • LogP   2.6892
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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