2,8-Bis(trifluoromethyl)quinolin-4-ol

Base Information

• Chemical Name: 2,8-Bis(trifluoromethyl)quinolin-4-ol
• CAS No.: 35853-41-9
• Molecular Formula: C11H5F6NO
• Molecular Weight: 281.157
• Hs Code.: 29334900
• European Community (EC) Number: 252-762-0
• UNII: VO1XSY74EW
• DSSTox Substance ID: DTXSID20189402
• Nikkaji Number: J319.548A
• Wikidata: Q72447414
• ChEMBL ID: CHEMBL1312885
• Mol file: 35853-41-9.mol

Synonyms:35853-41-9;2,8-Bis(trifluoromethyl)-4-hydroxyquinoline;2,8-Bis(trifluoromethyl)quinolin-4-ol;2,8-bis(trifluoromethyl)-4-quinolinol;2,8-bis(trifluoromethyl)-1H-quinolin-4-one;4-Quinolinol, 2,8-bis(trifluoromethyl)-;2,8-Bis(trifluoromethyl)quinolin-4(1H)-one;MFCD00075091;C11H5F6NO;2,8-Bis-trifluoromethyl-quinolin-4-ol;VO1XSY74EW;CC-PMLSC-DMA-P104;2,8-bis trifluoromethyl-4-hydroxy quinoleine;EINECS 252-762-0;949507-83-9;SMR000209021;Maybridge1_004836;UNII-VO1XSY74EW;4-Hydroxy-2,8-bis(trifluoromethyl)quinoline;MLS000889059;cid_736140;SCHEMBL1655812;CHEMBL1312885;BDBM35446;HMS555D18;DTXSID20189402;HMS2223E03;C11-H5-F6-N-O;BCP16098;BBL102676;STL556480;2,8-bis(trifluoromethyl)-4-quinolone;AKOS005254544;AKOS015897072;AC-7363;CCG-247625;CS-W017782;PS-7228;SB71450;2,8-Bis-(trifluoromethyl)-4-quinolinol;NCGC00247326-01;2,8-bis-trifluoromethyl-4-hydroxychinole;SY005925;AM20070180;B3714;FT-0610761;2,8-bis-(trifluoromethyl)-4-hydroxyquinoline;DI-TERT-BUTYL26-DIMETHYL-14-DIHYDROP&;A822999;97Q

Chemical Property of 2,8-Bis(trifluoromethyl)quinolin-4-ol

Chemical Property:

• Appearance/Colour: light grey powder
• Vapor Pressure: 10.9mmHg at 25°C
• Melting Point: 130-134 °C(lit.)
• Refractive Index: 1.384
• Boiling Point: 238 °C at 760 mmHg
• PKA: 5.84±0.40(Predicted)
• Flash Point: 97.8 °C
• PSA: 33.12000
• Density: 1.506 g/cm³
• LogP: 3.97800
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 0
• Exact Mass: 281.02753276
• Heavy Atom Count: 19
• Complexity: 410

Purity/Quality:

99% ^*data from raw suppliers

2,8-Bis(trifluoromethyl)-4-hydroxyquinoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC2=C(C(=C1)C(F)(F)F)NC(=CC2=O)C(F)(F)F

Technology Process of 2,8-Bis(trifluoromethyl)quinolin-4-ol

There total 3 articles about 2,8-Bis(trifluoromethyl)quinolin-4-ol 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: 91.0%

ethyl 4,4,4-trifluoroacetoacetate (372-31-6) + 2-(trifluoromethyl)benzenamine (88-17-5) → 2,8-bis(trifluoromethyl)quinolin-4-ol (35853-41-9)

Guidance literature:

With polyphosphoric acid; at 150 ℃; for 3h;

DOI:10.1016/j.bmc.2019.01.044

Reference yield:

mefloquine hydrochloride (68682-28-0) → 2,8-bis(trifluoromethyl)quinolin-4-ol (35853-41-9) + 2,8-bis(trifluoromethyl)-4-quinoline carboxaldehyde (57120-56-6) + 2,8-bis-(trifluoromethyl)-quinoline-4-carboxylic acid (35853-50-0) + 2-oxo-8-trifluoromethyl-1,2-dihydro-quinoline-4-carbaldehyde

Guidance literature:

With sodium hydroxide; potassium dihydrogenphosphate; oxygen; In methanol; water; for 0.583333h; pH=7.4; Further Variations:; pH-values; Reagents; Solvents; O2 conc., ionic strength, buffer conc., addition of scavengers; Kinetics; Quantum yield; Irradiation;

Reference yield:

→ 2,8-bis(trifluoromethyl)quinolin-4-ol (35853-41-9)

Guidance literature:

Trifluoracetessigester, 2-CF3-C6H4-NH2;

upstream raw materials:

mefloquine hydrochloride

ethyl 4,4,4-trifluoroacetoacetate

2-(trifluoromethyl)benzenamine

Downstream raw materials:

2,8-bis-(trifluoromethyl)-4-chloro-quinoline

2-[[2,8-bis(trifluoromethyl)-4-quinolinyl]oxy]acetic acid

[2,8-bis(trifluoromethyl)-4-quinolinyl]-2-pyridinylmethanone

mefloquine hydrochloride