1-CYCLOPROPYL-6,7-DIFLUORO-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXYLIC ACID

The 1-Cyclopropyl-1,4-dihydro-6,7-difluoro-4-oxoquinoline-3-carboxylic acid is an organic compound with the formula C₁₃H₉F₂NO₃. The IUPAC name of this chemical is 1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylic acid. With the CAS registry number 93107-30-3, it is also named as 3-quinolinecarboxylic acid, 1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-. In addition, the molecular weight is 265.21.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.29; (4)ACD/LogD (pH 7.4): -0.03; (5)ACD/BCF (pH 5.5): 5.21; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 104.39; (8)ACD/KOC (pH 7.4): 5.01; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.655; (14)Molar Refractivity: 59.69 cm³; (15)Molar Volume: 162.6 cm³; (16)Polarizability: 23.66×10^-24 cm³; (17)Surface Tension: 71.8 dyne/cm; (18)Density: 1.63 g/cm³; (19)Flash Point: 216.4 °C; (20)Enthalpy of Vaporization: 72.76 kJ/mol; (21)Boiling Point: 434.2 °C at 760 mmHg; (22)Vapour Pressure: 2.61E-08 mmHg at 25°C.

Preparation of 1-Cyclopropyl-1,4-dihydro-6,7-difluoro-4-oxoquinoline-3-carboxylic acid: It can be obtained by 1-cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester. This reaction needs reagent 10percent aq. HCl and solvent ethanol at temperature of 120 °C. The reaction time is 3 hours. The yield is 95%.

Uses of 1-Cyclopropyl-1,4-dihydro-6,7-difluoro-4-oxoquinoline-3-carboxylic acid: It can react with azetidine to get 7-azetidin-1-yl-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid. This reaction needs reagents triethylamine and pyridine by heating. The reaction time is 3 hours. The yield is 41%.

When you are using this chemical, please be cautious about it as the following:
It is not only harmful if swallowed, but also irritating to eyes and respiratory system. And it may cause harm to the unborn child. What's more, it is not recommended for interior use on large surface areas. And it should avoid exposure - obtain special instructions before use. If swallowed, do not induce vomitting; seek medical advice immediately and show this container or label.

People can use the following data to convert to the molecule structure. 
1. SMILES:Fc3c(F)cc1c(C(=O)\C(=C/N1C2CC2)C(=O)O)c3
2. InChI:InChI=1/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)
3. InChIKey:KNEXGVPHPGXAGF-UHFFFAOYAP