2,4,5-trimethylbenzyl trifluoroacetate

Base Information

• Chemical Name: 2,4,5-trimethylbenzyl trifluoroacetate
• CAS No.: 85649-60-1
• Molecular Formula: C₁₂H₁₃F₃O₂
• Molecular Weight: 246.229
• Mol file: 85649-60-1.mol

Synonyms:2,4,5-trimethylbenzyl trifluoroacetate

Chemical Property of 2,4,5-trimethylbenzyl trifluoroacetate

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 2,4,5-trimethylbenzyl trifluoroacetate

There total 3 articles about 2,4,5-trimethylbenzyl trifluoroacetate 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: 47.0%

1,2,4,5-tetramethylbenzene (95-93-2) + thallium(III) trifluoroacetate → C6H(CH3)4Tl(2+)*2CF3COO(1-)=(C6H(CH3)4)Tl(OCOCF3)2 + 1,1',2,3',4,4',5-(heptamethyldiphenyl)methane (23946-68-1) + 2,4,5-trimethylbenzyl trifluoroacetate (85649-60-1)

Guidance literature:

With lithium trifluoroacetate; In trifluoroacetic acid; solns. of Tl(OCOCF3)3, arene, and CF3COOLi in degassed CF3COOH were mixed at 25°C under Ar in the dark, mixt. was stirred for 1-3 h; rate const. is given; reaction was quenched with aq. KI, extd. with CH2Cl2, resulting aryl iodide and other products were sepd. and identified by gas chromy. and mass spectrum (iodide, dimer); Kinetics;

DOI:10.1021/ja00335a039

Reference yield: 11.0%

1,2,4,5-tetramethylbenzene (95-93-2) → 1-(trifluoromethyl)-2,3,5,6-tetramethylbenzene (3360-65-4) + 1-fluoro-2,3,5,6-tetramethylbenzene (319-92-6) + 1-(trifluoromethyl)-2,3,4,5-tetramethylbenzene (3360-61-0) + 2,4,5-trimethylbenzyl trifluoroacetate (85649-60-1)

Guidance literature:

With xenon difluoride; trifluoroacetic acid; In dichloromethane; at 25 ℃; for 0.5h;

DOI:10.1021/jo00161a017

Reference yield: 6.0%

1,2,4,5-tetramethylbenzene (95-93-2) + trifluoroacetic acid (76-05-1) → 1-(trifluoromethyl)-2,3,5,6-tetramethylbenzene (3360-65-4) + 1-fluoro-2,3,5,6-tetramethylbenzene (319-92-6) + 1-(trifluoromethyl)-2,3,4,5-tetramethylbenzene (3360-61-0) + 2,4,5-trimethylbenzyl trifluoroacetate (85649-60-1)

Guidance literature:

With xenon difluoride; In dichloromethane; at 25 ℃; for 0.5h;

DOI:10.1021/jo00161a017

upstream raw materials:

1,2,4,5-tetramethylbenzene

trifluoroacetic acid