3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-

Base Information

Chemical Name:3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-
CAS No.:130436-10-1
Molecular Formula:C13H10FNO3
Molecular Weight:247.22200
Hs Code.:
ChEMBL ID:CHEMBL229191
DSSTox Substance ID:DTXSID00596130
Nikkaji Number:J807.159D
Wikidata:Q82491280
Mol file:130436-10-1.mol

Synonyms:130436-10-1;3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-;1-CYCLOPROPYL-6-FLUORO-4-OXOQUINOLINE-3-CARBOXYLIC ACID;1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid;DFDZKSVJTUNHNX-UHFFFAOYSA-N;CHEMBL229191;SCHEMBL2744582;DTXSID00596130;SQ-4001;1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid

Suppliers and Price of 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 2 raw suppliers

Chemical Property of 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-

Chemical Property:

PSA：59.30000
LogP:2.17370
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:247.06447134
Heavy Atom Count:18
Complexity:430

Purity/Quality:: 99.90% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC1N2C=C(C(=O)C3=C2C=CC(=C3)F)C(=O)O

Technology Process of 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-

There total 5 articles about 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 86.0%

: 1616491-53-2
ethyl 1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

: 130436-10-1,178489-11-7
1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Guidance literature:: With hydrogenchloride; water; In methanol; for 2h; Reflux;
DOI:10.1016/j.bmc.2014.05.028

Reference yield:

: 887124-70-1
ethyl 2-(2,5-difluorobenzoyl)-3-(dimethylamino)acrylate

: 130436-10-1,178489-11-7
1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Guidance literature:: Multi-step reaction with 3 steps

1: ethanol; diethyl ether / 0.25 h / 20 °C

2: potassium carbonate / N,N-dimethyl-formamide / 0.67 h / 100 °C

3: water; hydrogenchloride / methanol / 2 h / Reflux

With hydrogenchloride; water; potassium carbonate; In methanol; diethyl ether; ethanol; N,N-dimethyl-formamide;
DOI:10.1016/j.bmc.2014.05.028

Reference yield:

: 35730-09-7
2,5-difluorobenzoyl chloride

: 130436-10-1,178489-11-7
1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Guidance literature:: Multi-step reaction with 4 steps

1: triethylamine / toluene / 2 h / 90 °C

2: ethanol; diethyl ether / 0.25 h / 20 °C

3: potassium carbonate / N,N-dimethyl-formamide / 0.67 h / 100 °C

4: water; hydrogenchloride / methanol / 2 h / Reflux

With hydrogenchloride; water; potassium carbonate; triethylamine; In methanol; diethyl ether; ethanol; N,N-dimethyl-formamide; toluene;
DOI:10.1016/j.bmc.2014.05.028