1-Cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic Acid

CAS NO.：93107-30-3
Empirical Formula: C13H9F2NO3
Molecular Weight: 265.21
MDL number: MFCD01646375
EINECS: 413-760-7
SAFETY DATA SHEET (SDS)
Update Date: 2024-09-23 17:56:10

What is 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic Acid?

The Uses of 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic Acid

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.

Properties of 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic Acid

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)

Safety information for 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic Acid

Signal word	Warning
Pictogram(s)	Health Hazard GHS08
GHS Hazard Statements	H361:Reproductive toxicity H412:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes	P201:Obtain special instructions before use. P202:Do not handle until all safety precautions have been read and understood. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P308+P313:IF exposed or concerned: Get medical advice/attention. P405:Store locked up. P501:Dispose of contents/container to..…

Computed Descriptors for 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic Acid

InChIKey	KNEXGVPHPGXAGF-UHFFFAOYSA-N
SMILES	N1(C2CC2)C2=C(C=C(F)C(F)=C2)C(=O)C(C(O)=O)=C1

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