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

Base Information

• Chemical Name: 4-Chloro-6-methyl-2-(trifluoromethyl)quinoline
• CAS No.: 1701-26-4
• Molecular Formula: C₁₁H₇ClF₃N
• Molecular Weight: 245.631
• Hs Code.: 2933499090
• European Community (EC) Number: 670-867-3
• NSC Number: 128775
• DSSTox Substance ID: DTXSID80299213
• Wikidata: Q72455511
• Mol file: 1701-26-4.mol

Synonyms:4-chloro-6-methyl-2-(trifluoromethyl)quinoline;1701-26-4;MFCD00153097;NSC 128775;4-Chloro-6-methyl-2-trifluoromethyl-quinoline;NSC128775;SCHEMBL1536650;DTXSID80299213;Clc1cc(nc2ccc(C)cc12)C(F)(F)F;AKOS005063325;AC-7387;NSC-128775;PS-7529;SB68892;SY005992;CS-0159074;FT-0618135;A811170

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

Chemical Property:

• Vapor Pressure: 0.00333mmHg at 25°C
• Melting Point: 62-65 °C
• Refractive Index: 1.584
• Boiling Point: 258.417 °C at 760 mmHg
• PKA: -1.00±0.50(Predicted)
• Flash Point: 110.087 °C
• PSA: 12.89000
• Density: 1.376 g/cm³
• LogP: 4.21540
• Storage Temp.: 2-8°C
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 245.0219114
• Heavy Atom Count: 16
• Complexity: 256

Purity/Quality:

97% ^*data from raw suppliers

4-Chloro-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

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)N=C(C=C2Cl)C(F)(F)F

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

There total 2 articles about 4-Chloro-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: 86.0%

→ 4-chloro-6-methyl-2-(trifluoromethyl)quinoline (1701-26-4)

Guidance literature:

With trichlorophosphate; In N,N-dimethyl-formamide; at 100 ℃; for 3h; Inert atmosphere;

Reference yield:

6‐methyl‐2‐(trifluoromethyl)‐quinolin‐4(1H)‐one (123638-04-0) → 4-chloro-6-methyl-2-(trifluoromethyl)quinoline (1701-26-4)

Guidance literature:

With N,N-dimethyl-aniline; trichlorophosphate; In toluene; at 90 ℃; for 3.5h;

DOI:10.1021/jm00093a007

Reference yield:

4-chloro-6-methyl-2-(trifluoromethyl)quinoline (1701-26-4) → N-[4-[N-(4-chloro-2-trifluoromethylquinolin-6-ylmethyl)-N-(prop-2-ynyl)amino]benzoyl]-L-glutamic acid (123636-71-5)

Guidance literature:

Multi-step reaction with 3 steps

1: NBS, benzoyl peroxide / CCl₄ / 3 h / 77 °C / Irradiation

2: 2,6-lutidine / dimethylformamide / 18 h / 70 °C

3: 77 percent / 1 N aq. NaOH / ethanol / 2.5 h / Ambient temperature

With 2,6-dimethylpyridine; sodium hydroxide; N-Bromosuccinimide; Perbenzoic acid; In tetrachloromethane; ethanol; N,N-dimethyl-formamide;

DOI:10.1021/jm00093a007

upstream raw materials:

6‐methyl‐2‐(trifluoromethyl)‐quinolin‐4(1H)‐one

Downstream raw materials:

6-(Bromomethyl)-4-chloro-2-(trifluoromethyl)quinoline

N-[4-[N-(4-chloro-2-trifluoromethylquinolin-6-ylmethyl)-N-(prop-2-ynyl)amino]benzoyl]-L-glutamic acid

6‐methyl‐2‐(trifluoromethyl)‐quinolin‐4(1H)‐one

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