3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-8-(trifluoroMethyl)-

Base Information

Chemical Name:3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-8-(trifluoroMethyl)-
CAS No.:138059-98-0
Molecular Formula:C18H17F4N3O3
Molecular Weight:399.3395
Hs Code.:
Mol file:138059-98-0.mol

Synonyms:3-Quinolinecarboxylic acid,1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-8-(trifluoromethyl);1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-8-(trifluoromethyl)-1,4-dihydroquinoline-3-carboxylic acid;

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Chemical Property of 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-8-(trifluoroMethyl)-

Chemical Property:

Vapor Pressure:4.32E-14mmHg at 25°C
Boiling Point:575.6°Cat760mmHg
Flash Point:301.9°C
PSA：74.57000
Density:1.534g/cm³
LogP:2.99590

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Technology Process of 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-8-(trifluoroMethyl)-

There total 9 articles about 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-8-(trifluoroMethyl)- 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: 47.0%

: 110-85-0
piperazine

: 118829-17-7
1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-8-(trifluoromethyl)-3-quinolinecarboxylic acid

: 138059-98-0
1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-8-(trifluoromethyl)-3-quinolinecarboxylic acid

Guidance literature:: In acetonitrile; for 20h; Heating;
DOI:10.1021/jm00080a023

Reference yield:

: 118829-12-2
3-bromo-2,5,6-trifluorobenzoic acid

: 138059-98-0
1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-8-(trifluoromethyl)-3-quinolinecarboxylic acid

Guidance literature:: Multi-step reaction with 8 steps

1: 88 percent / SF₆, HF (gas) / 8 h / 120 °C

2: 1.) n-BuLi / 1.) Et₂O, hexane, -78 deg C, 5 min, 2.) Et₂O, hexane, -78 deg C

3: oxalyl chloride, DMF / CH₂Cl₂ / 18 h / Ambient temperature

4: 1.) isopropylmagnesium chloride / 1.) THF, -78 deg C, 20 min, 2.) THF, from -78 deg C to 5 deg C

5: 1.) acetic anhydride / 1.) reflux, 36 h, 2.) DMSO, RT, 50 h

6: triethylamine / dimethylsulfoxide / 40 h / 25 °C

7: 81 percent / 5.0 M aq. HCl / tetrahydrofuran / 1.) RT, 22 h, 2.) reflux, 5 h

8: 47 percent / acetonitrile / 20 h / Heating

With hydrogenchloride; n-butyllithium; oxalyl dichloride; hydrogen fluoride; isopropylmagnesium chloride; acetic anhydride; triethylamine; N,N-dimethyl-formamide; sulfur(VI) hexafluoride; In tetrahydrofuran; dichloromethane; dimethyl sulfoxide; acetonitrile;
DOI:10.1021/jm00080a023

Reference yield:

: 118829-13-3
1-bromo-2,4,5-trifluoro-3-(trifluoromethyl)-benzene

: 138059-98-0
1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-8-(trifluoromethyl)-3-quinolinecarboxylic acid

Guidance literature:: Multi-step reaction with 7 steps

1: 1.) n-BuLi / 1.) Et₂O, hexane, -78 deg C, 5 min, 2.) Et₂O, hexane, -78 deg C

2: oxalyl chloride, DMF / CH₂Cl₂ / 18 h / Ambient temperature

3: 1.) isopropylmagnesium chloride / 1.) THF, -78 deg C, 20 min, 2.) THF, from -78 deg C to 5 deg C

4: 1.) acetic anhydride / 1.) reflux, 36 h, 2.) DMSO, RT, 50 h

5: triethylamine / dimethylsulfoxide / 40 h / 25 °C

6: 81 percent / 5.0 M aq. HCl / tetrahydrofuran / 1.) RT, 22 h, 2.) reflux, 5 h

7: 47 percent / acetonitrile / 20 h / Heating

With hydrogenchloride; n-butyllithium; oxalyl dichloride; isopropylmagnesium chloride; acetic anhydride; triethylamine; N,N-dimethyl-formamide; In tetrahydrofuran; dichloromethane; dimethyl sulfoxide; acetonitrile;
DOI:10.1021/jm00080a023