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CS-W001157 4
Total: USD 88.00

9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid

  • CAS No. 82419-35-0

  • Cat. No. CS-W010047
  • Purity≥97%
  • MDL No.MFCD00226106

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

9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid|CS-W010047

Structure of 82419-35-0

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General Information

  • CAS No. 82419-35-0
  • Cat. No. CS-W010047
  • Purity ≥97%
  • MDL No. MFCD00226106
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₉F₂NO₄
  • Molecular Weight 281.22
  • Synonym(s) Ofloxacin Q-Acid
  • SMILES CC1COC2=C(F)C(F)=CC3=C2N1C=C(C(O)=O)C3=O

Description

(S)-(-)-9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid may be used in the preparation of the following:kynurenine aminotransferase II (KAT II) inhibitor, [(S)-(-)-9-(4-aminopiperazine-1-yl)-8-fluoro-3-methyl-6-oxo-2,3,5,6-tetrahydro-4H-1-oxa-3a-aza-phenalene-5-carboxylic acid]fused-ring derivativesN-desmethyllevofloxacin

Synthesis

  • Route1
    • null|null
      178233-30-2
    • Tetrabutylammonium (fluoride) (solution),1M in THF|CS-W020033
      429-41-4
    • ~87%
    • In-stock
      9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid|CS-W010047
      82419-35-0

    References

    • Kim; Youseung; Kang; Soon Bang; Park; Seonhee Patent: US5952494 A1, 1999 ;
  • Route2
    • null|null
      82419-34-9
    • ~96%
    • In-stock
      9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid|CS-W010047
      82419-35-0

    References

    • Hayakawa; Hiramitsu; Tanaka Chemical and Pharmaceutical Bulletin, 1984 , vol. 32, # 12 p. 4907 - 4913
  • Route3
    • null|null
      86760-99-8
    • ~%
    • In-stock
      9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid|CS-W010047
      82419-35-0

    References

    • Heterocycles, , vol. 51, # 7 p. 1563 - 1572

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-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   68.53
  • LogP   1.9313
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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