Benzene, 1-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)-

Base Information

Chemical Name:Benzene, 1-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)-
CAS No.:87014-30-0
Molecular Formula:C9H6F6O
Molecular Weight:244.136
Hs Code.:
DSSTox Substance ID:DTXSID90476114
Nikkaji Number:J1.804.723C
Wikidata:Q82307087

Synonyms:Benzene, 1-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)-;87014-30-0;DTXSID90476114;IHUQDVSXANKPKI-UHFFFAOYSA-N

Suppliers and Price of Benzene, 1-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)-

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 0 raw suppliers

Chemical Property of Benzene, 1-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)-

Chemical Property:

XLogP3:3.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:244.03228378
Heavy Atom Count:16
Complexity:213

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C(F)(F)F)OCC(F)(F)F

Technology Process of Benzene, 1-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)-

There total 4 articles about Benzene, 1-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)- 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: 85.0%

: C₈H₈BF₁₂O₄^(1-)*Na⁽¹⁺⁾

: 98-56-6
4-chlorobenzotrifluoride

: 87014-30-0
1-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)benzene

Guidance literature:: 4-chlorobenzotrifluoride; With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; tert-butyl XPhos; In tert-Amyl alcohol; at 20 ℃; for 0.0833333h; Inert atmosphere;

C₈H₈BF₁₂O₄^(1-)*Na⁽¹⁺⁾; In tert-Amyl alcohol; at 100 ℃; for 1h; Inert atmosphere;
DOI:10.1002/chem.201704205

Reference yield: 80.0%

: 402-45-9
4-hydroxybenzotrifluoride

: 353-83-3
1,1,1-trifluoro-2-iodoethane

: 87014-30-0
1-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)benzene

Guidance literature:: With potassium fluoride; In dimethyl sulfoxide; at 120 - 130 ℃; for 3h;
DOI:10.1016/S0040-4039(02)01719-7

Reference yield: 53.0%

: 75-89-8
2,2,2-trifluoroethanol

: 402-43-7
p-trifluoromethylphenyl bromide

: 87014-30-0
1-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)benzene

Guidance literature:: 2,2,2-trifluoroethanol; With tris[2-phenylpyridinato-C₂,N]iridium(III); nickel(II) bromide dimethoxyethane; 4,4'-Dimethoxy-2,2'-bipyridin; potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 0.0833333h;

p-trifluoromethylphenyl bromide; In N,N-dimethyl-formamide; at 35 ℃; for 18h; Sealed tube; Irradiation;
DOI:10.1002/chem.202000052