4-METHYLHEPTAFLUOROTOLUENE

Base Information

• Chemical Name: 4-METHYLHEPTAFLUOROTOLUENE
• CAS No.: 778-35-8
• Molecular Formula: C8H3 F7
• Molecular Weight: 232.1
• Hs Code.: 2903999090
• Mol file: 778-35-8.mol

Synonyms:p-Xylene, a,a,a,2,3,5,6-heptafluoro- (7CI,8CI); a,a,a,2,3,5,6-Heptafluoro-p-xylene

Chemical Property of 4-METHYLHEPTAFLUOROTOLUENE

Chemical Property:

• Vapor Pressure: 7.29mmHg at 25°C
• Refractive Index: 1.329
• Boiling Point: 143-145
• Flash Point: 41.7°C
• PSA: 0.00000
• Density: 1.528
• LogP: 3.57020

Purity/Quality:

98%Min ^*data from raw suppliers

4-Methylheptafluorotoluene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-METHYLHEPTAFLUOROTOLUENE

There total 19 articles about 4-METHYLHEPTAFLUOROTOLUENE 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: 97.0%

nBu4N+[Cu(2,3,5,6-tetrafluoro-4-methylphenyl)(CF3)3]- → 1,2,4,5-tetrafluoro-3-methyl-6-(trifluoromethyl)benzene (778-35-8)

Guidance literature:

In 1,2-dichloro-ethane; at 95 ℃; Kinetics; Glovebox; Inert atmosphere;

DOI:10.1002/anie.201904041

Reference yield:

1-trifluoromethyl-4-difluoromethyl-2,3,5,6-tetrafluorobenzene (114649-16-0) → 1,2,4,5-tetrafluoro-3-methyl-6-(trifluoromethyl)benzene (778-35-8) + 1-trifluoromethyl-4-fluoromethyl-2,3,5,6-tetrafluorobenzene

Guidance literature:

With copper; zinc; In water; N,N-dimethyl-formamide; at 70 ℃; for 10h;

DOI:10.1016/S0040-4020(96)01090-3

Reference yield:

perfluoro-para-cymene (20017-49-6) → 1,2,4,5-tetrafluoro-3-methyl-6-(trifluoromethyl)benzene (778-35-8) + 1-trifluoromethyl-2,3,5,6-tetrafluoro-4-(2,2,2-trifluoroethyl)benzene (137711-43-4) + (4-trifluoromethyl-2,3,5,6-tetrafluorophenyl)acetic acid dimethylamide

Guidance literature:

With copper; zinc; In water; N,N-dimethyl-formamide; at 90 ℃; for 5h;

DOI:10.1016/S0040-4020(96)01090-3

upstream raw materials:

methyl magnesium iodide

diethyl ether

perfluorotoluene

methyllithium

Downstream raw materials:

p-Methyl-hexafluorbenzyl-Kation

2,3,5,6-tetrafluoro-4-trifluoromethyl benzyl bromide

Refernces

• 1、 Lu, Zehai,Liu, He,Liu, Shihan,Leng, Xuebing,Lan, Yu,Shen, Qilong. "A Key Intermediate in Copper-Mediated Arene Trifluoromethylation, [nBu4N][Cu(Ar)(CF3)3]: Synthesis, Characterization, and C(sp2)?CF3 Reductive Elimination". supporting information. p. 8510 - 8514. Retrieved 2019/05/22.
• 2、 Bogachev,Kobrina,Yakobson. "Reactions of perfluoroaromatic compounds with ethereal solutions of methylmagnesium iodide in the presence of silver(I) and copper(I) salts". . p. 85 - 97. Retrieved 2007/10/02.