(2,2,2-Trifluoroethoxy)benzene

Base Information

• Chemical Name: (2,2,2-Trifluoroethoxy)benzene
• CAS No.: 17351-95-0
• Molecular Formula: C8H7F3O
• Molecular Weight: 176.138
• Hs Code.: 2909309090
• European Community (EC) Number: 641-287-8
• DSSTox Substance ID: DTXSID90495123
• Nikkaji Number: J594.371J
• Wikidata: Q82343070
• Mol file: 17351-95-0.mol

Synonyms:2,2,2-Trifluoroethoxybenzene;17351-95-0;(2,2,2-trifluoroethoxy)benzene;Benzene, (2,2,2-trifluoroethoxy)-;2-Phenoxy-1,1,1-trifluoroethane;SCHEMBL2280790;DTXSID90495123;JEYUKZXDUCRZED-UHFFFAOYSA-N;MFWASTQSJSBGNG-UHFFFAOYSA-N;MFCD13193045;AKOS009171712;BS-21725;CS-0208463;EN300-221202

Chemical Property of (2,2,2-Trifluoroethoxy)benzene

Chemical Property:

• Vapor Pressure: 4.92mmHg at 25°C
• Boiling Point: 150.3oC at 760 mmHg
• Flash Point: 50.7oC
• PSA: 9.23000
• Density: 1.203g/cm3
• LogP: 2.62770
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 176.04489933
• Heavy Atom Count: 12
• Complexity: 127

Purity/Quality:

97% ^*data from raw suppliers

2,2,2-Trifluoroethoxybenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OCC(F)(F)F

Technology Process of (2,2,2-Trifluoroethoxy)benzene

There total 21 articles about (2,2,2-Trifluoroethoxy)benzene 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: 82.0%

2,2,2-trifluoroethanol (75-89-8) + potassium phenyltrifluoborate → (2,2,2-trifluoroethoxy)benzene (17351-95-0)

Guidance literature:

potassium phenyltrifluoborate; With dmap; copper diacetate; 4 A molecular sieve; In dichloromethane; at 20 ℃; for 0.0833333h;

2,2,2-trifluoroethanol; With oxygen; In dichloromethane; at 20 ℃; for 24h;

DOI:10.1021/ol034454n

Reference yield: 80.0%

2,2,2-trifluoroethyl methanesulfonate (25236-64-0) + phenol (108-95-2,27073-41-2) → (2,2,2-trifluoroethoxy)benzene (17351-95-0)

Guidance literature:

phenol; With potassium hydroxide; In N,N-dimethyl acetamide; water; at 50 - 60 ℃; for 0.5h;

2,2,2-trifluoroethyl methanesulfonate; In N,N-dimethyl acetamide; at 120 - 140 ℃; for 5h;

Reference yield: 79.0%

(2,2,2-trifluoroethyl)phenyliodonium triflate (408510-42-9) + phenol (108-95-2,27073-41-2) → (2,2,2-trifluoroethoxy)benzene (17351-95-0)

Guidance literature:

With lithium hydride; In dichloromethane; at 0 ℃; for 0.5h;

DOI:10.1016/S0022-1139(00)80536-9

upstream raw materials:

bromobenzene

2,2,2-trifluoroethanol

chlorobenzene

2,2,2-trifluorodiazoethane

Downstream raw materials:

2-fluoro-1-methoxy-3-(trifluoromethyl)benzene

3-propylbenzofuran