ChemicalBook--->CAS DataBase List--->112811-72-0

112811-72-0

112811-72-0 Structure

112811-72-0 Structure
IdentificationMore
[Name]

1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid
[CAS]

112811-72-0
[Synonyms]

1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid
1-CYCLOPROPYL-6,7-DIFLUORO-8-METHOXY-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID
1-CYCLOPROPYL-6,7-DIFLUORO-8-METHOXY-4-OXO-3-QUINOLINECARBOXYLIC ACID
3-QUINOLINECARBOXYLIC ACID, 1-CYCLOPROPYL-6,7-DIFLUORO-1,4-DIHYDRO-8-METHOXY-4-OXO-
1-Cyclopropyl6,7Dihydro-8-Methoxy-4-Oxo-3-QuinoiineCarboxylicAcid,MoxifloxacinHcl
1-Cyclo Propyl-6,7-Difluoro-1,4-Dihydro-8-Methoxy-4-Oxo-3-Quinoiinearboxylic acid
1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic Aci
1-Cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-3-quinolinecarboxylic
[EINECS(EC#)]

601-205-3
[Molecular Formula]

C14H11F2NO4
[MDL Number]

MFCD05864420
[Molecular Weight]

295.24
[MOL File]

112811-72-0.mol
Chemical PropertiesBack Directory
[Appearance]

Off-White to Light-Yellow Powder
[Melting point ]

192-194°C
[Boiling point ]

474.4±45.0 °C(Predicted)
[density ]

1.581±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform (Slightly), Methanol (Slightly, Sonicated)
[form ]

Solid
[pka]

6.36±0.50(Predicted)
[color ]

White to Pale Beige
[Usage]

Moxifloxacin intermediate
[InChI]

InChI=1S/C14H11F2NO4/c1-21-13-10(16)9(15)4-7-11(13)17(6-2-3-6)5-8(12(7)18)14(19)20/h4-6H,2-3H2,1H3,(H,19,20)
[InChIKey]

WQJZXSSAMGZVTM-UHFFFAOYSA-N
[SMILES]

N1(C2CC2)C2=C(C=C(F)C(F)=C2OC)C(=O)C(C(O)=O)=C1
[CAS DataBase Reference]

112811-72-0(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22
[Safety Statements ]

24/25
[HazardClass ]

IRRITANT
[HS Code ]

29334900
Hazard InformationBack Directory
[Chemical Properties]

Off-White to Light-Yellow Powder
[Uses]

Moxifloxacin intermediate
[Synthesis]

1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid ethyl ester

112811-71-9

1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid

112811-72-0

General Steps: Reaction: in a 250 mL round bottom flask, 10 g of ethyl 1-cyclopropyl-6,7-difluoro-8-methoxy-4-yloxy-1,4-dihydroxyquinoline-3-carboxylate (compound of formula 2) and 100 mL of anhydrous methanol were added and stirred until completely dissolved. Subsequently, 13.3 mL of 36% hydrochloric acid was added slowly and dropwise. After addition, the reaction system was heated to 65 °C and the reaction was stirred at this temperature for 15 hours. Post-treatment: after completion of the reaction, the system was cooled to 10 °C and stirring was continued for 2 hours to promote crystallization. Subsequently, the system was filtered under reduced pressure. The filter cake was washed with 20 mL of anhydrous methanol and subsequently dried under vacuum at 60 °C for 8 h to afford 8.86 g of 1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid (compound of formula 3) in 96.83% yield.

[References]

[1] Patent: CN107778308, 2018, A. Location in patent: Paragraph 0067; 0068; 0069
[2] Asian Journal of Chemistry, 2013, vol. 25, # 11, p. 6079 - 6082
[3] Bioorganic and Medicinal Chemistry, 2008, vol. 16, # 5, p. 2558 - 2569
[4] Patent: US4997943, 1991, A
[5] Patent: WO2004/14893, 2004, A2. Location in patent: Page 75; 76
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