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

Base Information

• Chemical Name: 4-Hydroxy-6-methyl-2-(trifluoromethyl)quinoline
• CAS No.: 1701-20-8
• Molecular Formula: C₁₁H₈F₃NO
• Molecular Weight: 227.186
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID50937736
• Nikkaji Number: J1.953.992J
• Wikidata: Q72492134
• ChEMBL ID: CHEMBL1480459
• Mol file: 1701-20-8.mol

Synonyms:1701-20-8;4-Hydroxy-6-methyl-2-(trifluoromethyl)quinoline;6-methyl-2-(trifluoromethyl)quinolin-4-ol;123638-04-0;6-methyl-2-(trifluoromethyl)-1H-quinolin-4-one;6-METHYL-2-(TRIFLUOROMETHYL)QUINOLIN-4(1H)-ONE;2-(trifluoromethyl)-6-methylquinolin-4-ol;4-Quinolinol, 6-methyl-2-(trifluoromethyl)-;4-hydroxy-6-methyl-2-(trifluoromethyl)-quinoline;MFCD00153192;Maybridge1_004906;6-Methyl-2-trifluoromethylquinolin-4-ol;6-Methyl-2-trifluoromethyl-quinolin-4-ol;MLS000850595;SCHEMBL9724182;CHEMBL1480459;SCHEMBL23716945;HMS555G22;DTXSID50937736;UNVMZLUVACVTDT-UHFFFAOYSA-N;HMS2808P06;AMY10693;AKOS004900930;AKOS009159360;AC-7365;CCG-246528;SB68705;SB69398;AS-31034;SMR000456613;SY005927;CS-0182207;FT-0618664;6-Methyl-2-(trifluoromethyl)quinoline-4(1H)-one;A811167

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

Chemical Property:

• Vapor Pressure: 0.0204mmHg at 25°C
• Melting Point: 252-253°C
• Refractive Index: 1.515
• Boiling Point: 312.583 °C at 760 mmHg
• PKA: 6.80±0.40(Predicted)
• Flash Point: 142.845 °C
• PSA: 33.12000
• Density: 1.377 g/cm³
• LogP: 3.26760
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 227.05579836
• Heavy Atom Count: 16
• Complexity: 335

Purity/Quality:

97% ^*data from raw suppliers

4-Hydroxy-6-methyl-2-(trifluoromethyl)quinoline ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 3 articles about 4-Hydroxy-6-methyl-2-(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%

3-(p-Toluidino)-4,4,4-trifluor-crotonsaeure-ethylester (1860-49-7) → 4-Hydroxy-6-methyl-2-trifluormethyl-chinolin (1701-20-8)

Guidance literature:

With PPA; at 170 ℃; for 2h;

DOI:10.1016/S0022-1139(00)83977-9

Reference yield:

p-toluidine (106-49-0,12221-03-3) → 4-Hydroxy-6-methyl-2-trifluormethyl-chinolin (1701-20-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 88 percent / Et₃N / acetonitrile / 6 h / 70 °C

2: 89 percent / polyphosphoric acid / 2 h / 170 °C

With PPA; triethylamine; In acetonitrile;

DOI:10.1016/S0022-1139(00)83977-9

Reference yield:

→ 4-Hydroxy-6-methyl-2-trifluormethyl-chinolin (1701-20-8)

Guidance literature:

4,4,4-Trifluor-acetessigsaeure-ethylester 1. Polyphosphorsaeure, 100grad 2. p-Toluidin, 140-150grad, 1.5 h 3. 20grad, 12 h;

upstream raw materials:

3-(p-Toluidino)-4,4,4-trifluor-crotonsaeure-ethylester

p-toluidine

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