Hexanoic acid, 2,2,2-trifluoroethyl ester

Base Information

• Chemical Name: Hexanoic acid, 2,2,2-trifluoroethyl ester
• CAS No.: 2822-57-3
• Molecular Formula: C8H13F3O2
• Molecular Weight: 198.185
• Mol file: 2822-57-3.mol

Synonyms:Hexa-N-propyl-N,N'-p-xylylen-di-ammonium,Bromid;hexa-N-propyl-N,N'-p-xylylene-di-ammonium,bromide;

Chemical Property of Hexanoic acid, 2,2,2-trifluoroethyl ester

Chemical Property:

• Vapor Pressure: 3.3mmHg at 25°C
• Boiling Point: 153.649oC at 760 mmHg
• Flash Point: 16.718oC
• PSA: 26.30000
• Density: 1.098g/cm3
• LogP: 2.67220

Purity/Quality:

99.3% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Hexanoic acid, 2,2,2-trifluoroethyl ester

There total 4 articles about Hexanoic acid, 2,2,2-trifluoroethyl 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: 85.56%

2,2,2-trifluoroethanol (75-89-8) + hexanoic acid (142-62-1) → 2,2,2?trifluoroethylhexanoate (2822-57-3)

Guidance literature:

With toluene-4-sulfonic acid; at 85 ℃; for 6.5h; Temperature; Reagent/catalyst;

Reference yield:

2,2,2-trifluoroethanol (75-89-8) + p-nitrophenyl hexanoate (956-75-2) → 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + 2,2,2?trifluoroethylhexanoate (2822-57-3)

Guidance literature:

With dm^-3 phosphate buffer; at 25 ℃; Rate constant; pH 11.60; var. conc. of TFE, also in the presence of cyclodextrins at var conc.;

Reference yield:

2,2,2-trifluorodiazoethane (371-67-5) + hexanoic acid (142-62-1) → 2,2,2?trifluoroethylhexanoate (2822-57-3)

Guidance literature:

With tetrafluoroboric acid; In chloroform-d1;

DOI:10.1021/ac00240a040

upstream raw materials:

2,2,2-trifluorodiazoethane

hexanoic acid

2,2,2-trifluoroethanol

p-nitrophenyl hexanoate

Downstream raw materials:

(1R,2S)-2-hydroxycyclohexane-1-carbonitrile

(1S,2R)-trans-2-hydroxycyclohexanecarbonitrile

1-O-hexanoyl-2-O-(6-O-tosyl-β-D-glucopyranosyl)-sn-glycerol