ChemicalBook--->CAS DataBase List--->442526-91-2

442526-91-2

442526-91-2 Structure

442526-91-2 Structure
IdentificationBack Directory
[Name]

DFSX-2
[CAS]

442526-91-2
[Synonyms]

DFSX-2
Delafloxcain
Ethyl 1-(6-amino-3,5-difluoropyridin-2-yl)-6-fluoro-7-(3-(isobutyryloxy)azetidin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylate
3-Quinolinecarboxylic acid, 1-(6-amino-3,5-difluoro-2-pyridinyl)-6-fluoro-1,4-dihydro-7-[3-(2-methyl-1-oxopropoxy)-1-azetidinyl]-4-oxo-, ethyl ester
[Molecular Formula]

C24H23F3N4O5
[MDL Number]

MFCD28502536
[MOL File]

442526-91-2.mol
[Molecular Weight]

504.46
Chemical PropertiesBack Directory
[Melting point ]

201-209 °C(Solv: water (7732-18-5))
[Boiling point ]

652.5±55.0 °C(Predicted)
[density ]

1.47±0.1 g/cm3(Predicted)
[storage temp. ]

Store at -20 °C
[solubility ]

DMSO: Sparingly soluble: 1-10 mg/ml
Ethanol: Slightly soluble: 0.1-1 mg/ml
[pka]

0.92±0.10(Predicted)
[Appearance]

Off-White Solid
[InChIKey]

VMXLACIKUJJQTC-UHFFFAOYSA-N
[SMILES]

N1(C2=NC(N)=C(F)C=C2F)C2=C(C=C(F)C(N3CC(OC(=O)C(C)C)C3)=C2)C(=O)C(C(OCC)=O)=C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H312+H332-H315-H319-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
Hazard InformationBack Directory
[Description]

DFSX-2 is a precursor in the synthesis of the fluoroquinolone antibiotic ABT-492 (delafloxacin; Item Nos. 20314 | 27935).1WARNING This product is not for human or veterinary use.
[References]

[1] ANTHONY R. HAIGHT. Synthesis of the Quinolone ABT-492: Crystallizations for Optimal Processing[J]. Organic Process Research & Development, 2006, 10 4: 751-756. DOI: 10.1021/op060054e
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