1,1,1-Trifluoro-5-phenylpentan-2-yl trifluoroacetate

Base Information

Chemical Name:1,1,1-Trifluoro-5-phenylpentan-2-yl trifluoroacetate
CAS No.:112298-12-1
Molecular Formula:C13H12F6O2
Molecular Weight:314.227
Hs Code.:
DSSTox Substance ID:DTXSID40555600

Synonyms:112298-12-1;1,1,1-Trifluoro-5-phenylpentan-2-yl trifluoroacetate;DTXSID40555600;Acetic acid, 2,2,2-trifluoro-, 4-phenyl-1-(trifluoromethyl)butyl ester

Suppliers and Price of 1,1,1-Trifluoro-5-phenylpentan-2-yl trifluoroacetate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 1 raw suppliers

Chemical Property of 1,1,1-Trifluoro-5-phenylpentan-2-yl trifluoroacetate

Chemical Property:

XLogP3:5.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:314.07414859
Heavy Atom Count:21
Complexity:331

Purity/Quality:: 99.90% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)CCCC(C(F)(F)F)OC(=O)C(F)(F)F

Technology Process of 1,1,1-Trifluoro-5-phenylpentan-2-yl trifluoroacetate

There total 3 articles about 1,1,1-Trifluoro-5-phenylpentan-2-yl 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: 75.0%

: 112298-06-3
5-phenyl-1,1,1-trifluoropentan-2-ol

: 407-25-0
trifluoroacetic anhydride

: 112298-12-1
5-phenyl-2-(trifluoroacetoxy)-1,1,1-trifluoropentane

Guidance literature:: With trifluoroacetic acid; at 140 ℃; for 48h;
DOI:10.1021/jo00239a010

Reference yield:

: 637-59-2
1-Bromo-3-phenylpropane

: 112298-12-1
5-phenyl-2-(trifluoroacetoxy)-1,1,1-trifluoropentane

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) magnesium / 1.) ether, reflux, 2 h, 2.) a) RT, 1 h, b) reflux, 1 h

2: 80 percent / LiAlH / diethyl ether / 2 h / Ambient temperature

3: 75 percent / trifluoroacetic acid / 48 h / 140 °C

With magnesium; trifluoroacetic acid; In diethyl ether;
DOI:10.1021/jo00239a010

Reference yield:

: 85674-68-6
1,1,1-trifluoro-5-phenyl-pentan-2-one

: 112298-12-1
5-phenyl-2-(trifluoroacetoxy)-1,1,1-trifluoropentane

Guidance literature:: Multi-step reaction with 2 steps

1: 80 percent / LiAlH / diethyl ether / 2 h / Ambient temperature

2: 75 percent / trifluoroacetic acid / 48 h / 140 °C

With trifluoroacetic acid; In diethyl ether;
DOI:10.1021/jo00239a010