2-[2-(2,2,2-Trifluoroethoxy)phenoxy]ethanol

Base Information

• Chemical Name: 2-[2-(2,2,2-Trifluoroethoxy)phenoxy]ethanol
• CAS No.: 160969-02-8
• Molecular Formula: C10H11F3O3
• Molecular Weight: 236.191
• DSSTox Substance ID: DTXSID90444772
• Nikkaji Number: J2.327.612G
• Wikidata: Q82263030
• Mol file: 160969-02-8.mol

Synonyms:160969-02-8;2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanol;2-[2-(2,2,2-Trifluoro-ethoxy)-phenoxy]-ethanol;2-(2-(2,2,2-Trifluoroethoxy)phenoxy)ethanol;2-[2-(2,2,2-Trifluoroethoxy)-phenoxy]-ethanol;2-[2-(2,2,2-Trifluoroethoxy)phenoxy]-ethanol;SCHEMBL2350644;DTXSID90444772;2-[2-(2,2,2-Trifluoroethoxy)phenoxy]ethan-1-ol;A1-03418

Chemical Property of 2-[2-(2,2,2-Trifluoroethoxy)phenoxy]ethanol

Chemical Property:

• Boiling Point: 270.9±40.0 °C(Predicted)
• PKA: 14.26±0.10(Predicted)
• PSA: 38.69000
• Density: 1.281±0.06 g/cm3(Predicted)
• LogP: 1.99880
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 236.06602869
• Heavy Atom Count: 16
• Complexity: 196

Purity/Quality:

99% ^*data from raw suppliers

2-[2-(2,2,2-Trifluoroethoxy)phenoxy]-ethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)OCCO)OCC(F)(F)F
• Uses: 2-[2-(2,2,2-Trifluoroethoxy)phenoxy]-ethanol, is used in the preparation of hydroxy(aminomethyl)pyridine derivatives.

Technology Process of 2-[2-(2,2,2-Trifluoroethoxy)phenoxy]ethanol

There total 12 articles about 2-[2-(2,2,2-Trifluoroethoxy)phenoxy]ethanol 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: 89.8%

2,2,2-trifluoroethanol (75-89-8) + sodium 2-(2-hydroxyethoxy)phenol → 2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanol (160969-02-8)

Guidance literature:

With potassium carbonate; In 1-methyl-pyrrolidin-2-one; N,N-dimethyl-formamide; at 160 ℃; for 16h; Solvent; Temperature; Inert atmosphere;

Reference yield:

2-O-(2,2,2-trifluoroethyl)catechol (160968-99-0) + 2-chloro-ethanol (107-07-3) → 2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanol (160969-02-8)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 100 - 105 ℃; for 10h;

Reference yield:

2-O-(2,2,2-trifluoroethyl)catechol (160968-99-0) + 2-bromoethanol (540-51-2) → 2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanol (160969-02-8)

Guidance literature:

With potassium carbonate; In acetonitrile; at 90 - 100 ℃; for 66h;

upstream raw materials:

2,2,2-trifluoroethyl methanesulfonate

2-(2-hydroxy-phenoxy)-ethanol

benzene-1,2-diol

ethyl 2-(2,2,2-trifluoroethoxy)phenoxyacetate

Downstream raw materials:

1-(2-methanesulfonyloxyethoxy)-2-(2,2,2-trifluoroethoxy)benzene

silodosin

2,3-dihydro-1-[3-(benzoyloxy)propyl]-5-[(2R)-2-[[2-[(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]-1H-indole-7-carbonitrile

1-(3-hydroxypropyl)-5-[(2R)-2-({2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl}amino)propyl]-2,3-dihydro-1H-indole-7-carbonitrile

Refernces

• 1、 -. "PROCESS FOR THE PREPARATION OF INDOLINE DERIVATIVES AND THEIR INTERMEDIATES THEREOF". . . Retrieved 2012/07/13.
• 2、 -. "NOVEL PROCESS FOR THE SYNTHESIS OF PHENOXYETHYL DERIVATIVES". . . Retrieved 2011/09/19.