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CS-W001157 4
Total: USD 88.00

5-Fluoro-1H-benzo[d][1,3]oxazine-2,4-dione

  • CAS No. 78755-94-9

  • Cat. No. CS-0045056
  • Purity≥96%
  • MDL No.MFCD00112979

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

5-Fluoro-1H-benzo[d][1,3]oxazine-2,4-dione|CS-0045056

Structure of 78755-94-9

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General Information

  • CAS No. 78755-94-9
  • Cat. No. CS-0045056
  • Purity ≥96%
  • MDL No. MFCD00112979
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄FNO₃
  • Molecular Weight 181.12
  • Synonym(s) 6-Fluoroisatoic anhydride
  • SMILES O=C(O1)NC2=CC=CC(F)=C2C1=O

Synthesis

  • Route1
    • null|null
      32315-10-9
    • In-stock
      2-Amino-6-fluorobenzoic acid|CS-W001131
      434-76-4
    • ~95%
    • In-stock
      5-Fluoro-1H-benzo[d][1,3]oxazine-2,4-dione|CS-0045056
      78755-94-9

    References

    • Tedesco, Rosanna; Shaw, Antony N.; Bambal, Ramesh; Chai, Deping; Concha, Nestor O.; Darcy, Michael G.; Dhanak, Dashyant; Fitch, Duke M.; Gates, Adam; Gerhardt, Warren G.; Halegoua, Dina L.; Han, Chao; Hofmann, Glenn A.; Johnston, Victor K.; Kaura, Arun C.; Liu, Nannan; Keenan, Richard M.; Lin-Goerke, Juili; Sarisky, Robert T.; Wiggall, Kenneth J.; Zimmerman, Michael N.; Duffy, Kevin J. Journal of Medicinal Chemistry, 2006 , vol. 49, # 3 p. 971 - 983
  • Route2
    • null|null
      75-44-5
    • In-stock
      2-Amino-6-fluorobenzoic acid|CS-W001131
      434-76-4
    • ~95%
    • In-stock
      5-Fluoro-1H-benzo[d][1,3]oxazine-2,4-dione|CS-0045056
      78755-94-9

    References

    • BOEHRINGER INGELHEIM INTERNATIONAL GmbH Patent: WO2009/62289 A1, 2009 ; Location in patent: Page/Page column 121; 122 ;
  • Route3

    References

    • Journal of Medicinal Chemistry, , vol. 39, # 5 p. 1172 - 1188

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

Quality Control

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Computational Chemistry Data

  • TPSA   63.07
  • LogP   0.6204
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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