1-(Chloromethyl)-2-fluoro-4-(trifluoromethyl)benzene

Base Information

• Chemical Name: 1-(Chloromethyl)-2-fluoro-4-(trifluoromethyl)benzene
• CAS No.: 1000339-60-5
• Molecular Formula: C₈H₅ClF₄
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID00614282
• Wikidata: Q82515263
• Mol file: 1000339-60-5.mol

Synonyms:1-(chloromethyl)-2-fluoro-4-(trifluoromethyl)benzene;1000339-60-5;2-Fluoro-4-(trifluoromethyl)benzyl chloride;2-fluoro-4-trifluoromethylbenzyl chloride;SCHEMBL5325907;AMY8699;DTXSID00614282;MFCD09749659;AKOS016012271;AS-30462;2-fluoro-4-trifluoromethyl-benzyl chloride;FT-0719301;EN300-1929251

Chemical Property of 1-(Chloromethyl)-2-fluoro-4-(trifluoromethyl)benzene

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 212.0015905
• Heavy Atom Count: 13
• Complexity: 168

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(F)(F)F)F)CCl

Technology Process of 1-(Chloromethyl)-2-fluoro-4-(trifluoromethyl)benzene

There total 1 articles about 1-(Chloromethyl)-2-fluoro-4-(trifluoromethyl)benzene 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%

2-fluoro-4-(trifluoromethyl)benzyl alcohol (197239-49-9) → 2-fluoro-4-trifluoromethylbenzyl chloride (1000339-60-5)

Guidance literature:

With thionyl chloride; at 80 ℃; for 72h;

DOI:10.1055/s-0030-1257871

Reference yield: 92.0%

2-fluoro-4-trifluoromethylbenzyl chloride (1000339-60-5) + 5-fluoro-N4-(3-aminophenyl)-N2-(4-morpholinophenyl)pyrimidine-2,4-diamine → 5-fluoro-N4-(3-(2-fluoro-4-(trifluoromethyl)benzylamino)phenyl)-N2-(4-morpholinophenyl)pyrimidine-2,4-diamine

Guidance literature:

With potassium carbonate; In acetone; at 20 ℃; for 3h; Reflux;

DOI:10.1002/jhet.2498

Reference yield:

2-fluoro-4-trifluoromethylbenzyl chloride (1000339-60-5) + 3-(2-chloro-6-fluorophenyl)-5(3-chloro-4-hydroxyphenyl)-1-methyl-1H-1,2,4-triazole (168010-65-9) → 3-(2-chloro-6-fluorophenyl)-5-[3-chloro-4(2-fluoro-4-trifluoromethylbenzyloxy)-phenyl]-1-methyl-1H-1,2,4-triazole (168035-73-2)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide;

upstream raw materials:

2-fluoro-4-(trifluoromethyl)benzyl alcohol

Downstream raw materials:

3-(2-chloro-6-fluorophenyl)-5-[3-chloro-4(2-fluoro-4-trifluoromethylbenzyloxy)-phenyl]-1-methyl-1H-1,2,4-triazole