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CAS 97746-91-3

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(T-4)-Bis(acetato-κO)[9,10-difluoro-2,3-dihydro-3-methyl-7-(oxo-κO)-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylato-κO6]boron

Description:
The chemical substance known as "(T-4)-Bis(acetato-κO)[9,10-difluoro-2,3-dihydro-3-methyl-7-(oxo-κO)-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylato-κO6]boron," with the CAS number 97746-91-3, is a complex boron-containing compound characterized by its unique structural features. It contains a boron atom coordinated to two acetate groups, which are linked through oxygen atoms (κO). The compound also features a pyrido-benzoxazine moiety, which contributes to its potential biological activity and chemical reactivity. The presence of difluoro and methyl substituents enhances its lipophilicity and may influence its interaction with biological targets. The oxo groups in the structure suggest potential reactivity, possibly allowing for coordination with metal ions or participation in redox reactions. This compound may exhibit interesting pharmacological properties, making it a subject of interest in medicinal chemistry and materials science. Its specific applications and behavior would depend on further studies, including its solubility, stability, and interaction with other chemical species.
Formula:C17H14BF2NO8
InChI:InChI=1S/C17H14BF2NO8/c1-7-6-25-16-13(20)12(19)4-10-14(16)21(7)5-11-15(10)28-18(26-8(2)22,27-9(3)23)29-17(11)24/h4-5,7H,6H2,1-3H3
InChI key:InChIKey=YNDVFBPYZCMNNU-UHFFFAOYSA-N
SMILES:[O-](C(C)=O)[B+3]1([O-]C(C)=O)O=C2C=3C=4N(C=C2C(=O)[O-]1)C(C)COC4C(F)=C(F)C3
Synonyms:
  • 7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-, boron complex
  • Boron, bis(acetato-O)(9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylato-O6,O7)-, (T-4)-
  • 5H-Pyrido[1,2,3-de]-1,4-benzoxazine, boron deriv.
  • (T-4)-Bis(acetato-κO)[9,10-difluoro-2,3-dihydro-3-methyl-7-(oxo-κO)-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylato-κO6]boron
  • Boron, bis(acetato-κO)[9,10-difluoro-2,3-dihydro-3-methyl-7-(oxo-κO)-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylato-κO6]-, (T-4)-
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