7-(Trifluoromethyl)-4-quinolinol

Base Information

• Chemical Name: 7-(Trifluoromethyl)-4-quinolinol
• CAS No.: 322-97-4
• Molecular Formula: C10H6F3NO
• Molecular Weight: 213.159
• Hs Code.: 29334990
• European Community (EC) Number: 297-395-7,206-298-0
• NSC Number: 77093
• DSSTox Substance ID: DTXSID10185973
• Nikkaji Number: J193.738C,J318.991K
• Wikidata: Q27213160
• ChEMBL ID: CHEMBL1335144
• Mol file: 322-97-4.mol

Synonyms:322-97-4;7-(Trifluoromethyl)-4-quinolinol;4-Hydroxy-7-(trifluoromethyl)quinoline;7-(trifluoromethyl)quinolin-4-ol;7-(trifluoromethyl)-1H-quinolin-4-one;93516-03-1;7-(Trifluorophenyl)quinolin-4-ol;7-(trifluoromethyl)quinolin-4(1H)-one;7-trifluoromethyl-4-quinolinol;7-(Trifluoromethyl)-4-quinolone;EINECS 206-298-0;EINECS 297-395-7;MFCD00006779;NSC77093;4(1H)-Quinolinone,7-(trifluoromethyl)-;MLS000087820;SCHEMBL2345433;SCHEMBL9400251;7-(trifluoromethyl)4-quinolinol;CHEMBL1335144;DTXSID10185973;CHEBI:123446;HMS2476H24;AMY18101;NSC 77093;NSC-77093;4-Hydroxy-7-(trifluoromethyl)quinolin;AKOS002671340;CS-W014268;SB71557;4-HYDROXY-NICOTINICACIDETHYLESTER;DS-11079;SMR000024040;SY032400;FT-0618670;4-Hydroxy-7-(trifluoromethyl)quinoline, 96%;F19177;SR-01000432013;J-018695;SR-01000432013-1;Q27213160;97W

Chemical Property of 7-(Trifluoromethyl)-4-quinolinol

Chemical Property:

• Appearance/Colour: Light greyish-beige powder
• Melting Point: 266-269 °C(lit.)
• Refractive Index: 1.629
• Boiling Point: 265.607 °C at 760 mmHg
• PKA: 3.79±0.40(Predicted)
• Flash Point: 114.435 °C
• PSA: 33.12000
• Density: 1.37 g/cm³
• LogP: 2.95920
• Storage Temp.: 2-8°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 213.04014830
• Heavy Atom Count: 15
• Complexity: 298

Purity/Quality:

99% ^*data from raw suppliers

7-(Trifluoromethyl)-4-quinolinol ^*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=C1C(F)(F)F)NC=CC2=O
• Uses: 4-Hydroxy-7-(trifluoromethyl)quinoline was used in the synthesis of 4[[7-(trifluoromethyl)quinolin-4-yl]oxy]pthalonitrile.

Technology Process of 7-(Trifluoromethyl)-4-quinolinol

There total 6 articles about 7-(Trifluoromethyl)-4-quinolinol 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: 80.0%

4-hydroxy-7-trifluoromethyl-quinoline-3-carboxylic acid ethyl ester (391-02-6) → 7-trifluoromethyl-quinolin-4-ol (322-97-4)

Guidance literature:

4-hydroxy-7-trifluoromethyl-quinoline-3-carboxylic acid ethyl ester; With potassium hydroxide; In water; ethylene glycol; at 200 ℃; for 0.5h; under 12137.6 - 13171.9 Torr; Irradiation;

With hydrogenchloride; In water; ethylene glycol; pH=6;

Reference yield:

diethyl 2-({[3-(trifluoromethyl)phenyl]amino}methylidene)propanedioate (370-35-4) → 7-trifluoromethyl-quinolin-4-ol (322-97-4)

Guidance literature:

Multi-step reaction with 3 steps

1: diphenyl ether / Heating

2: 2 N NaOH / Heating

3: diphenyl ether / 1 h / Heating

With sodium hydroxide; In diphenylether;

DOI:10.1021/jm980146x

Reference yield:

4-hydroxy-7-(trifluoromethyl)-3-quinolinecarboxylic acid (574-92-5) → 7-trifluoromethyl-quinolin-4-ol (322-97-4)

Guidance literature:

at 260 ℃;

DOI:10.1021/ja01194a061

upstream raw materials:

4-hydroxy-7-(trifluoromethyl)-3-quinolinecarboxylic acid

2,2-dimethyl-5-{[(3-trifluoromethylphenyl)amino]methylene}-1,3-dioxane-4,6-dione

4-hydroxy-7-trifluoromethyl-quinoline-3-carboxylic acid ethyl ester

diethyl 2-({[3-(trifluoromethyl)phenyl]amino}methylidene)propanedioate

Downstream raw materials:

sulfotep

Thiophosphoric acid O,O'-diethyl ester O''-(7-trifluoromethyl-quinolin-4-yl) ester

4-chloro-7-trifluoromethyl quinoline

Refernces

• 1、 -. "NOVEL QUINOLINE DERIVATIVES". Page/Page column 45-46. . Retrieved 2008/06/13.