3-(Trifluoromethyl)quinoline-2-carboxylic acid

Base Information

Chemical Name:3-(Trifluoromethyl)quinoline-2-carboxylic acid
CAS No.:588702-64-1
Molecular Formula:C11H6F3NO2
Molecular Weight:241.16600
Hs Code.:2933499090
DSSTox Substance ID:DTXSID80476007
Nikkaji Number:J2.008.079E

Synonyms:3-(Trifluoromethyl)quinoline-2-carboxylic acid;588702-64-1;SCHEMBL4308291;DTXSID80476007;CVSCZIGOYYGAGL-UHFFFAOYSA-N;AKOS015894004;SB69382;TS-03366;3-trifluoromethylquinolin-2-carboxylic acid;FT-0755742;3-(Trifluoromethyl)quinoline-2-carboxylicacid

Suppliers and Price of 3-(Trifluoromethyl)quinoline-2-carboxylic acid

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

Matrix Scientific
3-(Trifluoromethyl)quinoline-2-carboxylic acid 97%
1g
$ 727.00

Crysdot
3-(Trifluoromethyl)quinoline-2-carboxylicacid 95+%
1g
$ 510.00

Chemenu
3-(Trifluoromethyl)quinoline-2-carboxylicacid 95%
1g
$ 482.00

Atlantic Research Chemicals
3-(Trifluoromethyl)quinoline-2-carboxylicacid 95%
1gm:
$ 279.23

American Custom Chemicals Corporation
3-(TRIFLUOROMETHYL)QUINOLINE-2-CARBOXYLIC ACID 95.00%
1G
$ 975.65

Alichem
3-(Trifluoromethyl)quinoline-2-carboxylicacid
1g
$ 411.84

AK Scientific
3-(Trifluoromethyl)quinoline-2-carboxylicacid
1g
$ 1031.00

AHH
3-(TRIFLUOROMETHYL)QUINOLINE-2-CARBOXYLICACID 98%
1g
$ 205.00

Total 12 raw suppliers

Chemical Property of 3-(Trifluoromethyl)quinoline-2-carboxylic acid

Chemical Property:

Melting Point:125-126 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
Boiling Point:339.1±42.0 °C(Predicted)
PKA:2.95±0.50(Predicted)
PSA：50.19000
Density:1.481±0.06 g/cm3(Predicted)
LogP:2.95180
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:241.03506292
Heavy Atom Count:17
Complexity:306

Purity/Quality:

97% ^*data from raw suppliers

3-(Trifluoromethyl)quinoline-2-carboxylic acid 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C2C(=C1)C=C(C(=N2)C(=O)O)C(F)(F)F

Technology Process of 3-(Trifluoromethyl)quinoline-2-carboxylic acid

There total 4 articles about 3-(Trifluoromethyl)quinoline-2-carboxylic acid 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: 82.0%

: 124-38-9,18923-20-1
carbon dioxide

: 590371-95-2
2-bromo-3-(trifluoromethyl)quinoline

: 588702-64-1
3-trifluoromethyl-2-quinolinecarboxylic acid

Guidance literature:: With n-butyllithium; In hexane; toluene; at -75 ℃; for 0.75h;
DOI:10.1002/ejoc.200390215

Reference yield: 41.0%

: 25199-76-2
3-(trifluoromethyl)quinoline

: 124-38-9,18923-20-1
carbon dioxide

: 588702-64-1
3-trifluoromethyl-2-quinolinecarboxylic acid

Guidance literature:: With 2,2,6,6-tetramethyl-piperidine; n-butyllithium; In tetrahydrofuran; hexane; at -75 ℃; for 2h;
DOI:10.1002/ejoc.200390216

Reference yield:

: 25199-86-4
2-chloro-3-(trifluoromethyl)quinoline

: 588702-64-1
3-trifluoromethyl-2-quinolinecarboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 83 percent / bromotrimethylsilane / various solvent(s) / 50 h / Heating

2: 82 percent / butyllithium / toluene; hexane / 0.75 h / -75 °C

With n-butyllithium; trimethylsilyl bromide; In hexane; toluene;
DOI:10.1002/ejoc.200390215