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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