9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid
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![9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/445e2452f4894c44aaf7854e3ef51a51.png "9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid")
9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid
structure -
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CAS No:
82419-35-0
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Formula:
C13H9F2NO4
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Chemical Name:
9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid
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Synonyms:
7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid,9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-;9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid;9,10-Difluoro-3-methyl-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid;9,10-Difluoro-3-methyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid;100986-90-1
- Categories:
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CAS No:
9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid Basic Attributes
281.21
281.21
1806241-263-5
2934999090
Characteristics
66.8
2.1
grey-yellow powder
1.6±0.1 g/cm3
309-311 °C @ Solvent: Chloroform, Ethanol
459.2ºC at 760 mmHg
231.5±28.7 °C
1.636
-20°C Freezer
Safety Information
NONH for all modes of transport
3
36/37/38
26-36
Xi
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 41 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid Use and Manufacturing
Commercially available 9, 10-difluoro-3-methyl-7-oxo-2, 3-dihydro-7H-[1, 4]oxazino[2, 3, 4-ij]quinoline-6-carboxylic (1) (1.011 g, 3.596 mmol) was placed in a flame dried flask with anoven dried stir bar under an argon atmosphere, to which 50 mL dry THF was added. The solutionwas cooled in a dry ice-acetone bath, with stirring. Lithium hexamethyldisilazide (0.9 M in THF, 10.0 mL, 11.1 mmol) was added drop wise, slowly over 15 minutes. The reaction continued tostir and was allowed to warm to room temperature overnight. The reaction was quenched byadding 4.0 N HCl until the pH reached 1. The THF was then removed by rotary evaporation. Theproduct was extracted by washing the aqueous layer with 25 mL ethyl acetate thrice. The organiclayers were combined and washed three times with 20 mL 1.0 N HCl, once with 20 mL brine andconcentrated under reduced pressure. 98% yield.
Ofloxacin intermediate
Computed Properties
Molecular Weight:281.21
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:1
Exact Mass:281.04996409
Monoisotopic Mass:281.04996409
Topological Polar Surface Area:66.8
Heavy Atom Count:20
Complexity:495
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid
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