1,4-Dimethyl-2-(trifluoromethyl)benzene

Base Information

• Chemical Name: 1,4-Dimethyl-2-(trifluoromethyl)benzene
• CAS No.: 84796-70-3
• Molecular Formula: C9H9F3
• Molecular Weight: 174.166
• DSSTox Substance ID: DTXSID90438151
• Nikkaji Number: J594.372H
• Wikidata: Q82253794

Synonyms:2,5-Dimethylbenzotrifluoride;1,4-dimethyl-2-(trifluoromethyl)benzene;84796-70-3;MFCD14525506;2-Fluoromethyl-p-xylene;SCHEMBL84053;2-(Trifluoromethyl)-p-xylene;DTXSID90438151;KRVGYRHBAUMHKR-UHFFFAOYSA-N;NMZDAEZTXCPKDJ-UHFFFAOYSA-N;RIKQFBGCNQAHBO-UHFFFAOYSA-N;1,4-Dimethyl-2-trifluoromethylbenzene;AKOS005258044;MS-20822;CS-0363767;136822-78-1

Chemical Property of 1,4-Dimethyl-2-(trifluoromethyl)benzene

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 174.06563477
• Heavy Atom Count: 12
• Complexity: 150

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)C)C(F)(F)F

Technology Process of 1,4-Dimethyl-2-(trifluoromethyl)benzene

There total 18 articles about 1,4-Dimethyl-2-(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: 68.0%

2-(2,5-dimethylphenyl)-1,3,2-dioxaborolane (1338601-22-1) + Langlois reagent (2926-29-6) → 1,4-dimethyl-2-(trifluoromethyl)benzene (84796-70-3)

Guidance literature:

With tert.-butylhydroperoxide; copper(l) chloride; In methanol; dichloromethane; water; at 0 - 20 ℃; for 12h;

DOI:10.1039/c4cc02175d

Reference yield: 67.0%

4-bromo-m-xylene (553-94-6) + trifluoroacetic anhydride (407-25-0) → 1,4-dimethyl-2-(trifluoromethyl)benzene (84796-70-3)

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide; at 180 ℃; for 12h; Inert atmosphere;

Reference yield: 63.0%

trifluoromethane sulfonyl chloride (421-83-0) + para-xylene (106-42-3) → 1,4-dimethyl-2-(trifluoromethyl)benzene (84796-70-3)

Guidance literature:

dichlorotris(triphenylphosphine)ruthenium(II); at 120 ℃; for 18h;

upstream raw materials:

trifluoromethane sulfonyl chloride

para-xylene

bis(trifluoromethyl)tellurium

1,3-dimethyl-2-(trifluoromethyl)benzene

Downstream raw materials:

2,4-dimethyl-1-(trifluoromethyl)benzene

1,3-dimethyl-5-trifluoromethylbenzene

2-(trifluoromethyl)terephthalic acid

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