hexyl trifluoroacetate

Base Information

• Chemical Name: hexyl trifluoroacetate
• CAS No.: 400-61-3
• Molecular Formula: C8H13F3O2
• Molecular Weight: 198.185
• Mol file: 400-61-3.mol

Synonyms:

Chemical Property of hexyl trifluoroacetate

Chemical Property:

• Vapor Pressure: 7.5mmHg at 25°C

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of hexyl trifluoroacetate

There total 2 articles about hexyl 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: 30.0%

trifluoroacetic anhydride (407-25-0) + hexan-1-ol (111-27-3) → n-hexyl nitrate (20633-11-8) + hexyl trifluoroacetate (400-61-3)

Guidance literature:

trifluoroacetic anhydride; With lithium nitrate; In acetonitrile; at 20 ℃;

hexan-1-ol; With sodium carbonate; In acetonitrile; at 0 ℃; for 3h;

DOI:10.1039/c0nj00881h

Reference yield:

dihexyl ether (112-58-3) + methyltrifluoromethyldioxirane (115464-59-0) → n-hexyl caproate (6378-65-0) + hexyl trifluoroacetate (400-61-3) + hexanal (66-25-1) + 1,1,1-Trifluoro-2-hexyloxy-propan-2-ol + hexanoic acid (142-62-1) + hexan-1-ol (111-27-3)

Guidance literature:

In various solvent(s); at -20 ℃; for 0.5h; Mechanism;

DOI:10.1016/S0040-4039(00)76677-9

Reference yield:

hexyl trifluoroacetate (400-61-3) → 2,2,2-trifluoroethanol (75-89-8) + hexan-1-ol (111-27-3)

Guidance literature:

With trimethylamine-N-oxide; tricarbonyl(η⁴-1,3-bis(trimethylsilyl)-4,5,6,7-tetrahydro-2H-inden-2-one)iron; hydrogen; In toluene; at 90 ℃; for 17h; under 52505.3 Torr; Temperature; Pressure; Reagent/catalyst; Solvent; Catalytic behavior; Inert atmosphere; Glovebox;

DOI:10.1002/cctc.201600972

upstream raw materials:

dihexyl ether

methyltrifluoromethyldioxirane

trifluoroacetic anhydride

hexan-1-ol

Downstream raw materials:

1-azidohexane

hexylammonium 4-toluenesulfonate

2,2,2-trifluoroethanol

hexan-1-ol

Refernces

• 1、 Ferrer, Marta,Sanchez-Baeza, Francisco,Casas, Josefina,Messeguer, Angel. "DECOMPOSITION OF DIOXIRANES INDUCED BY DIALKYL ETHERS". . p. 2981 - 2984. Retrieved 2007/10/02.