Acetic acid, 2,2,2-trifluoro-, 1-ethylbutyl ester

Base Information

• Chemical Name: Acetic acid, 2,2,2-trifluoro-, 1-ethylbutyl ester
• CAS No.: 761-34-2
• Molecular Formula: C8H13 F3 O2
• Molecular Weight: 198.185
• Mol file: 761-34-2.mol

Synonyms:Aceticacid, trifluoro-, 1-ethylbutyl ester (7CI,8CI,9CI); (?à)-3-Hexyl trifluoroacetate

Chemical Property of Acetic acid, 2,2,2-trifluoro-, 1-ethylbutyl ester

Chemical Property:

• Vapor Pressure: 3.42mmHg at 25°C
• Boiling Point: 152.9°C at 760 mmHg
• Flash Point: 16.1°C
• PSA: 26.30000
• Density: 1.095g/cm³
• LogP: 2.67060

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Acetic acid, 2,2,2-trifluoro-, 1-ethylbutyl ester

There total 12 articles about Acetic acid, 2,2,2-trifluoro-, 1-ethylbutyl ester 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: 64.0%

trans-2-hexene (4050-45-7) + trifluoroacetic acid (76-05-1) → hexyl-3-trifluoroacetate (761-34-2)

Guidance literature:

With vanadia; at 70 ℃; for 5h;

DOI:10.1039/c39930000405

Reference yield:

hexane (110-54-3) + trifluoroacetic acid (76-05-1) → n-hexan-2-one (591-78-6) + n-hexan-3-one (589-38-8) + hexyl-2-trifluoroacetate (763-50-8) + hexyl-3-trifluoroacetate (761-34-2)

Guidance literature:

With peracetic acid; ruthenium trichloride; In dichloromethane; ethyl acetate; at 20 ℃; for 2h; Title compound not separated from byproducts.;

DOI:10.1039/b006869l

Reference yield:

hexyl-2-trifluoroacetate (763-50-8) → hexyl-3-trifluoroacetate (761-34-2)

Guidance literature:

With methanesulfonic acid; trifluoroacetic anhydride; In trifluoroacetic acid; at 40 ℃; Thermodynamic data; other temperatures, ΔH⁰, ΔS⁰; enthalpies of hydration of n-hexenes;

DOI:10.1021/ja00412a005

upstream raw materials:

hexyl-2-trifluoroacetate

n-hexan-3-ol

trifluoroacetic anhydride

trans-2-hexene

Refernces

• 1、 Coutard, Nathan,Goldberg, Jonathan M.,Valle, Henry U.,Cao, Yuan,Jia, Xiaofan,Jeffrey, Philip D.,Gunnoe, T. Brent,Groves, John T.. "Aerobic Partial Oxidation of Alkanes Using Photodriven Iron Catalysis". supporting information. p. 759 - 766. Retrieved 2022/01/11.
• 2、 Moody, Christopher J.,O'Connell, Jenny L.. "Observations on the transition-metal catalysed oxidation of alkanes in trifluoroacetic acid: Urea-hydrogen peroxide/TFA as a convenient method for the oxidation of unactivated C-H bonds". . p. 1311 - 1312. Retrieved 2007/10/03.