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| | 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid Basic information |
| Product Name: | 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid | | Synonyms: | 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-8-methoxy-4-oxo-3-quinolinecarboxylic;1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic Aci;Gati Acid;Moxifloxacin Impurity J
(1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid);1-Cyclopropyl-6,7-difluoro-1 | | CAS: | 112811-72-0 | | MF: | C14H11F2NO4 | | MW: | 295.24 | | EINECS: | 601-205-3 | | Product Categories: | OLED materials,pharm chemical,electronic;Intermediates & Fine Chemicals;Pharmaceuticals;Gatifloxacin Hemihydrate | | Mol File: | 112811-72-0.mol |  |
| | 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid Chemical Properties |
| 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 | | 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) |
| Hazard Codes | Xn | | Risk Statements | 22 | | Safety Statements | 24/25 | | HazardClass | IRRITANT | | HS Code | 29334900 |
| | 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid Usage And Synthesis |
| Chemical Properties | Off-White to Light-Yellow Powder | | Uses | Moxifloxacin intermediate. | | Synthesis | 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 |
| | 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid Preparation Products And Raw materials |
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