Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

1-Cyclopropyl-1,4-dihydro-6,7-difluoro-4-oxoquinoline-3-carboxylic acid

Related Products

Hot Products

Basic Information Post buying leads Suppliers
Name

1-Cyclopropyl-1,4-dihydro-6,7-difluoro-4-oxoquinoline-3-carboxylic acid

EINECS 413-760-7
CAS No. 93107-30-3 Density 1.63 g/cm3
PSA 59.30000 LogP 2.31280
Solubility N/A Melting Point 289°C(lit.)
Formula C13H9F2NO3 Boiling Point 434.2 °C at 760 mmHg
Molecular Weight 265.216 Flash Point 216.4 °C
Transport Information N/A Appearance N/A
Safety 22-36/37-61 Risk Codes 62-52/53
Molecular Structure Molecular Structure of 93107-30-3 (1-CYCLOPROPYL-6,7-DIFLUORO-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXYLIC ACID) Hazard Symbols HarmfulXn
Synonyms

1-Cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid;1-Cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydroquinolin-3-carboxylic acid;1-Cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid;

 

1-Cyclopropyl-1,4-dihydro-6,7-difluoro-4-oxoquinoline-3-carboxylic acid Specification

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%.

1-Cyclopropyl-1,4-dihydro-6,7-difluoro-4-oxoquinoline-3-carboxylic acid can be obtained by 1-cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester

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%.

1-Cyclopropyl-1,4-dihydro-6,7-difluoro-4-oxoquinoline-3-carboxylic acid can react with azetidine to get 7-azetidin-1-yl-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid

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

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 93107-30-3