Benzenepropanoic acid, 2,2,2-trifluoroethyl ester

Base Information

• Chemical Name: Benzenepropanoic acid, 2,2,2-trifluoroethyl ester
• CAS No.: 23522-66-9
• Molecular Formula: C11H11F3O2
• Molecular Weight: 232.202
• Mol file: 23522-66-9.mol

Synonyms:Benzenepropanoic acid,2,2,2-trifluoroethyl ester;

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

Chemical Property:

• Boiling Point: 234.1±40.0 °C(Predicted)
• PSA: 26.30000
• Density: 1.211±0.06 g/cm3(Predicted)
• LogP: 2.72470

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

There total 14 articles about Benzenepropanoic 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: 95.0%

2,2,2-trifluoroethanol (75-89-8) + 1-(1-tert-butyl-1H-benzimidazol-2-yl)-3-phenylpropan-1-one → 2,2,2-trifluoroethyl 3-phenylpropanoate (23522-66-9)

Guidance literature:

at 120 ℃; for 24h; Autoclave; Inert atmosphere;

DOI:10.1021/acs.joc.0c01458

Reference yield: 93.0%

tetrakis(2,2,2-trifluoroethoxy)silane (338-39-6) + 3-Phenylpropionic acid (501-52-0) → 2,2,2-trifluoroethyl 3-phenylpropanoate (23522-66-9)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 20 ℃; for 24h;

DOI:10.1246/cl.2005.1586

Reference yield: 78.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + 2,2,2-trifluoroethyl formate (32042-38-9) → 2,2,2-trifluoroethyl 3-phenylpropanoate (23522-66-9)

Guidance literature:

With 1,1'-bis(dicyclohexylphosphinocyclopentadienyl)iron; palladium diacetate; In toluene; at 80 ℃; for 48h; regioselective reaction; Catalytic behavior; Sealed tube; Inert atmosphere;

DOI:10.1002/ejoc.201901601

upstream raw materials:

2,2,2-trifluorodiazoethane

3-Phenylpropionic acid

tetrakis(1,1,1,3,3,3-hexafluoro-2-propoxy)silane

tetrakis(2,2,2-trifluoroethoxy)silane

Downstream raw materials:

3-Phenyl-1-propanol

Refernces

• 1、 Xin, Hai-Long,Pang, Bo,Choi, Jeesoo,Akkad, Walaa,Morimoto, Hiroyuki,Ohshima, Takashi. "C-C Bond Cleavage of Unactivated 2-Acylimidazoles". . p. 11592 - 11606. Retrieved 2020/10/23.
• 2、 Tschaen, Brittany A.,Schmink, Jason R.,Molander, Gary A.. "Pd-catalyzed aldehyde to ester conversion: A hydrogen transfer approach". supporting information. p. 500 - 503. Retrieved 2013/04/11.