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93107-30-3

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93107-30-3 Structure

93107-30-3 Structure
IdentificationBack Directory
[Name]

1-CYCLOPROPYL-6,7-DIFLUORO-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXYLIC ACID
[CAS]

93107-30-3
[Synonyms]

7-difluoro-4-oxo-1
Ciprofloxacin Intermediate
CIPROFLOXACIN CARBOXYLIC ACID
Moxifloxacin Difluoro Acid Impurity
1-CYCLOPROPYL-6,7-DIFLUORO-4-OXOQUINOLINE-3-CARBOXYLIC ACID
1-CYCLOPROPYL-6,7-DIFLUORO-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXYLIC ACID
1-Cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
6,7-DIFLUORO-4-OXO-1-CYCLOPROPYL-1,4-DIHYDRO-QUINOLINE-3-CARBOXYLIC ACID
3-Quinolinecarboxylic acid, 1-cyclopropyl-6,7- difluoro-1,4-dihydro-4-oxo-
1-Cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic Acid >
[EINECS(EC#)]

413-760-7
[Molecular Formula]

C13H9F2NO3
[MDL Number]

MFCD01646375
[MOL File]

93107-30-3.mol
[Molecular Weight]

265.212
Chemical PropertiesBack Directory
[Melting point ]

289°C(lit.)
[Boiling point ]

434.2±45.0 °C(Predicted)
[density ]

1.630±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

DMSO
[form ]

Solid
[pka]

6.36±0.41(Predicted)
[color ]

Off-White
[InChI]

InChI=1S/C13H9F2NO3/c14-9-3-7-11(4-10(9)15)16(6-1-2-6)5-8(12(7)17)13(18)19/h3-6H,1-2H2,(H,18,19)
[InChIKey]

KNEXGVPHPGXAGF-UHFFFAOYSA-N
[SMILES]

N1(C2CC2)C2=C(C=C(F)C(F)=C2)C(=O)C(C(O)=O)=C1
Safety DataBack Directory
[Symbol(GHS) ]

Health Hazard (GHS08)
GHS08
[Signal word ]

Warning
[Hazard statements ]

H361-H412
[Precautionary statements ]

P201-P202-P273-P280-P308+P313-P405-P501
[Hazard Codes ]

Xn
[Risk Statements ]

62-52/53
[Safety Statements ]

22-36/37-61
[HS Code ]

2933.49.7000
[REACH Registrations]

Inactive
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Methanol-->Diethyl ether-->Sulfuric acid-->Acetic acid-->N,N-Dimethylformamide-->Toluene-->Acetic anhydride-->Hexane-->Nitrogen-->Acetonitrile-->Sodium hydride-->1,4-Dioxane-->Carbon tetrachloride-->Magnesium-->Triethyl orthoformate-->Diethyl malonate-->Oxalyl chloride-->Cyclopropylamine-->2-Chloro-4,5-difluorobenzoic acid
Hazard InformationBack Directory
[Uses]

1-Cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic Acid is a metabolite of Moxifloxacin (M745000) and is used in the synthesis of chiral aminopiperidinyl quinolones as potent antibacterial agents against resistant pathogens.
[General Description]

1-Cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic Acid and 7-Chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxoquinoline-3 -Carboxylic Acid has a similar structure; the difference lies in the number of substituted fluorine atoms. They could be formed as an intermediate during the synthesis of ciprofloxacin hydrochloride, a fluorinated quinolone antibacterial drug.
Spectrum DetailBack Directory
[Spectrum Detail]

1-Cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic Acid(93107-30-3)1HNMR
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