82419-35-0

Basic information

• Product Name: Oxygen-fluorine acid
• Synonyms: AURORA 21894;AKOS BBS-00001807;9,10-DIFLUORO-2,3-DIHYDRO-3-METHYL-7-OXO-7H-PYRIDO[1,2,3-DE]-1,4-BENZ-OXAZINE-6-CARBOXYLIC ACID;9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-7h-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxyllic acid;9,10-DIFLUORO-3-METHYL-7-OXO-2,3-DIHYDRO-7H-[1,4]OXAZINO[2,3,4-IJ]QUINOLINE-6-CARBOXYLIC ACID;OXYGEN-FLUORINE ACID;OTAVA-BB BB0111050010;9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro 7-H-Pyrido-1,2,3-DE]-1,4-Benzoxyazine-6-Carboxylic Acid
• CAS NO: 82419-35-0
• Molecular Formula: C₁₃H₉F₂NO₄
• Molecular Weight: 281.21
• EINECS: 1806241-263-5
• Product Categories: OFLOXACIN INTERMIDATE;Various Intermediates;Intermediates;Intermediates & Fine Chemicals;Pharmaceuticals;Benzoxazines;Building Blocks;Heterocyclic Building Blocks
• Mol File: 82419-35-0.mol
• Article Data: 10

Chemical Properties

• Melting Point: 320-322 °C(lit.)
• Boiling Point: 459.2 °C at 760 mmHg
• Flash Point: 231.5 °C
• Appearance: grey-yellow powder
• Density: 1.61 g/cm³
• Vapor Pressure: 3.14E-09mmHg at 25°C
• Storage Temp.: -20?C Freezer
• Solubility: DMSO (Slightly, Heated)
• PKA: 4.87±0.40(Predicted)
• BRN: 4202751
• CAS DataBase Reference: Oxygen-fluorine acid(CAS DataBase Reference)
• NIST Chemistry Reference: Oxygen-fluorine acid(82419-35-0)
• EPA Substance Registry System: Oxygen-fluorine acid(82419-35-0)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• Hazardous Substances Data: 82419-35-0(Hazardous Substances Data)

Usage

Description

Oxygen-fluorine acid, also known as oxyfluoride acid, is a chemical compound that consists of oxygen and fluorine atoms. It is a highly reactive and corrosive acid with unique properties that make it useful in various applications.

Uses

Used in Pharmaceutical Industry:
Oxygen-fluorine acid is used as an intermediate in the synthesis of Ofloxacin, a widely used fluoroquinolone antibiotic. It plays a crucial role in the production of Ofloxacin and its related compounds, contributing to the development of effective treatments for bacterial infections.
Used in Chemical Synthesis:
Oxygen-fluorine acid is used as a reagent in the synthesis of various organic and inorganic compounds. Its high reactivity and ability to form stable bonds with other elements make it a valuable tool in chemical research and development.
Used in Material Science:
Oxygen-fluorine acid is utilized in the etching and cleaning of surfaces in material science applications. Its strong corrosive properties allow for the removal of contaminants and the creation of smooth, clean surfaces for further processing or analysis.

InChI:InChI=1/C13H9F2NO4/c1-5-4-20-12-9(15)8(14)2-6-10(12)16(5)3-7(11(6)17)13(18)19/h2-3,5H,4H2,1H3,(H,18,19)/p-1/t5-/m1/s1

Upstream product

• 82419-26-9 2,3-difluoro-6-nitrophenol 
• 178233-30-2 ethyl 2-(2-nitro-3,4,5-trifluoro) benzoyl-3-(1-t-butyldimethylsilyloxyprop-2-ylamino) acrylate 
• 429-41-4 tetrabutyl ammonium fluoride 
• 113933-52-1 ethyl 2-(2,3,4,5-tetrafluorobenzoyl)-3-(1-hydroxyprop-2-ylamino)acrylate 
• 94695-50-8 ethyl 3-(2,3,4,5-tetrafkuorophenyl)-3-oxopropanoate 
• 82419-33-8 (-)-7,8-difluoro-2,3-dihydro-3-methyl-4H-1,4-benzoxazine 
• 82419-32-7 3,4-difluoro-2-(2-oxopropyloxy)nitrobenzene 
• 771-69-7 2,3,4-trifluoronitrobenzene 
• 124409-86-5 diethyl [3,4-difluoro-2-(2-hydroxypropyloxy)anilinyl]methylenemalonate 
• 144298-04-4 (3,4-difluorophenyl)-carbamic acid-tert-butyl ester 
• 85741-74-8 diethyl 2-(((3,4-difluoro-2-hydroxyphenyl)amino)methylene)malonate 
• 115551-33-2 2-hydroxy 3,4-difluoro aniline 
• 86760-99-8 diethyl [(-)-7,8-difluoro-3-methyl-2,3-dihydro-4H-[1,4]benzoxazin-4-yl]methylenemalonate 
• 107359-16-0 ethyl 6,7,8-trifluoro-1,4-dihydro-1-(1-hydroxyprop-2-yl)-4-oxoquinoline-3-carboxylate 

Downstream Products

• 82419-59-8 8-Fluoro-3-methyl-9-(4-methyl-[1,4]diazepan-1-yl)-6-oxo-2,3-dihydro-6H-1-oxa-3a-aza-phenalene-5-carboxylic acid 
• 124338-73-4 9-(4-Ethyl-piperazin-1-yl)-8-fluoro-3-methyl-6-oxo-2,3-dihydro-6H-1-oxa-3a-aza-phenalene-5-carboxylic acid 
• 82419-52-1 N-Demethylofloxacin 
• 82419-36-1 ofloxacin 
• 82419-34-9 ethyl 9,10-difluoro-3-methyl-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylate 
• 178912-62-4 (3RS)-10-fluoro-3-methyl-9-(4- methylpiperazin-1-yl)-7-oxo-2,3-dihydro- 7Hpyrido[1,2,3-de]-1,4-benzoxazine-6- carboxylic acid 

Relevant articles and documents

Ofloxacin preparation method (by machine translation)

The invention provides a preparation method of ofloxacin. The preparation method comprises the following steps of: reacting (N,N)-dimethylamino ethyl acrylate with aminopropanols in methylbenzene; directly adding lewis base serving as a catalyst and trimethylchlorosilane to protect hydroxyl and amido; after reaction is completely finished, dropwise adding (2,3,4,5)-tetrafluorobenzoyl chloride; preserving heat; performing acid washing; removing protecting groups; concentrating an organic layer to obtain an oil layer; adding a proper amount of dimethyl formamide (DMF); diluting and dropwise adding backflow DMF having anhydrous potassium fluoride; recovering DMF and adding water to centrifuge; adding acid water into a solid to hydrolyze to obtain difluorocarboxylic acid; and completely reacting difluorocarboxylic acid and N-methyl piperazine in dimethylsulfoxide (DMSO) by using triethylamine as an acid-binding agent at 90-100 DEG C to obtain ofloxacin. According to the process, hydroxyl and amido are protected by using trimethylchlorosilane, so that the utilization degree of (2,3,4,5)-tetrafluorobenzoyl chloride is effectively increased, and the generation of impurities is reduced to ensure that the reaction yield of intermediate difluorocarboxylic acid is increased by 10 percent.

Novel oxazolidinone-quinolone hybrid antimicrobials

Antimicrobial compounds incorporating oxazolidinone and quinolone pharmacophore substructures have been synthesized and evaluated. Representative analogues 2, 5, and 6 display an improved potency versus linezolid against gram-positive and fastidious gram-negative pathogens. The compounds are also active against linezolid- and ciprofloxacin-resistant Staphylococcus aureus and Enterococcus faecium strains. The MOA for these new antimicrobials is consistent with a combination of protein synthesis and gyrase A/topoisomerase IV inhibition, with a structure-dependent degree of the contribution from each inhibitory mechanism.

An efficient synthesis of ofloxacin and levofloxacin from 3,4- difluoroaniline

The functionalization at either C-2 or C-3 of N-(tert-butoxycarbonyl)- 3,4-difluoroaniline based on its ortho-deprotonation under different experimental conditions is described. This kind of products can be readily applied to the synthesis of ofloxacin, levofloxacin and related compounds.