2-Hydroxy-6-methyl-4-(trifluoromethyl)quinoline

Base Information

• Chemical Name: 2-Hydroxy-6-methyl-4-(trifluoromethyl)quinoline
• CAS No.: 1828-96-2
• Molecular Formula: C11H8F3NO
• Molecular Weight: 227.1825
• NSC Number: 128780
• DSSTox Substance ID: DTXSID00299215
• Nikkaji Number: J1.953.994F
• Wikidata: Q82041467
• Mol file: 1828-96-2.mol

Synonyms:2-Hydroxy-6-methyl-4-(trifluoromethyl)quinoline;1828-96-2;6-methyl-4-(trifluoromethyl)-1H-quinolin-2-one;2(1H)-Quinolinone, 6-methyl-4-(trifluoromethyl)-;MFCD04035729;6-METHYL-4-(TRIFLUOROMETHYL)QUINOLIN-2-OL;NSC128780;SCHEMBL1173328;DTXSID00299215;KTJROJRNPOWDGG-UHFFFAOYSA-N;AMY20192;BAA82896;AKOS023115862;AKOS025404372;NSC-128780;SB68739;AC-25603;AS-31684;SY020552;CS-0336723;A880865

Chemical Property of 2-Hydroxy-6-methyl-4-(trifluoromethyl)quinoline

Chemical Property:

• Vapor Pressure: 0.00149mmHg at 25°C
• Boiling Point: 295.8°Cat760mmHg
• Flash Point: 132.7°C
• PSA: 32.86000
• Density: 1.34g/cm³
• LogP: 2.85530
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 227.05579836
• Heavy Atom Count: 16
• Complexity: 335

Purity/Quality:

97% ^*data from raw suppliers

2-HYDROXY-6-METHYL-4-(TRIFLUOROMETHYL)QUINOLINE 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)NC(=O)C=C2C(F)(F)F

Technology Process of 2-Hydroxy-6-methyl-4-(trifluoromethyl)quinoline

There total 8 articles about 2-Hydroxy-6-methyl-4-(trifluoromethyl)quinoline 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: 89.0%

4,4,4-trifluoro-3-oxo-N-(4'-methylphenylamino)butyramide (643734-90-1) → 6-methyl-4-(trifluoromethyl)quinolin-2(1H)-one (1828-96-2)

Guidance literature:

With sulfuric acid; at 90 ℃; for 0.833333h;

DOI:10.1002/ejoc.200300531

Reference yield: 32.0%

p-toluidine (106-49-0,12221-03-3) + ethyl 4,4,4-trifluoroacetoacetate (372-31-6) → 6-methyl-4-(trifluoromethyl)quinolin-2(1H)-one (1828-96-2)

Guidance literature:

p-toluidine; ethyl 4,4,4-trifluoroacetoacetate; at 110 ℃; for 0.75h;

With sulfuric acid; water; at 90 ℃; for 0.75h; Further stages.;

DOI:10.1002/ejoc.200200633

Reference yield:

p-toluidine (106-49-0,12221-03-3) → 6-methyl-4-(trifluoromethyl)quinolin-2(1H)-one (1828-96-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 78 percent / Et₃N / CH₂Cl₂ / 2 h / 0 °C

2: 89 percent / H₂SO₄ (96 percent) / 0.83 h / 90 °C

With sulfuric acid; triethylamine; In dichloromethane;

DOI:10.1002/ejoc.200300531

upstream raw materials:

p-toluidine

3,4,4,4-tetrafluoro-but-2-enoic acid p-tolylamide

ethyl 4,4,4-trifluoroacetoacetate

4,4,4-trifluoro-3-oxo-N-(4'-methylphenylamino)butyramide

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