2-(2,2,2-Trifluoroethoxy)phenol

Base Information

• Chemical Name: 2-(2,2,2-Trifluoroethoxy)phenol
• CAS No.: 160968-99-0
• Molecular Formula: C8H7F3O2
• Molecular Weight: 192.138
• Hs Code.: 2907290090
• DSSTox Substance ID: DTXSID00517688
• Nikkaji Number: J2.327.611I
• Wikidata: Q72511090
• Mol file: 160968-99-0.mol

Synonyms:2-(2,2,2-trifluoroethoxy)phenol;160968-99-0;Phenol, 2-(2,2,2-trifluoroethoxy)-;MFCD11181824;Trifluoroethoxy)phenol;SCHEMBL2357267;DTXSID00517688;AKOS009315866;AC-23947;DS-18420;SY111103;CS-0156622;FT-0656528;EN300-65940;D70688;A810207;Z381415096

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

Chemical Property:

• Appearance/Colour: colorless to pink solid
• Vapor Pressure: 0.205mmHg at 25°C
• Melting Point: 49-50 °C
• Refractive Index: 1.463
• Boiling Point: 202.501 °C at 760 mmHg
• PKA: 9.22±0.30(Predicted)
• Flash Point: 101.698 °C
• PSA: 29.46000
• Density: 1.327 g/cm³
• LogP: 2.33330
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 192.03981395
• Heavy Atom Count: 13
• Complexity: 158

Purity/Quality:

99% ^*data from raw suppliers

2-(2,2,2-Trifluoroethoxy)phenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)O)OCC(F)(F)F
• Uses: 2-(2,2,2-Trifluoroethoxy)phenol is a reactant used for the preparation of phenyl acetate compounds with short sedative and hypnotic effect.

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

There total 5 articles about 2-(2,2,2-Trifluoroethoxy)phenol 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: 98.0%

2-methoxy-1-(2,2,2-trifluoroethoxy)benzene (106854-74-4) → 2-O-(2,2,2-trifluoroethyl)catechol (160968-99-0)

Guidance literature:

With boron tribromide; In dichloromethane; for 2h;

DOI:10.3390/molecules23092175

Reference yield: 8.0%

2,2,2-trifluoroethanol (75-89-8) + N-(phenoxy)-4-methylbenzenesulfonamide (65109-75-3) → 2-hydroxyphenyl p-toluenesulfonimidate (65109-81-1) + 4-(2,2,2-trifluoroethoxy)phenol (129560-99-2) + 4-hydroxyphenyl trifluoromethanesulfonate (65109-80-0) + 2-O-(2,2,2-trifluoroethyl)catechol (160968-99-0)

Guidance literature:

With trifluorormethanesulfonic acid;

DOI:10.1021/ja00387a040

Reference yield:

1,1,1-trifluoro-2-iodoethane (353-83-3) + benzene-1,2-diol (120-80-9,19481-10-8,37349-32-9) → 2-O-(2,2,2-trifluoroethyl)catechol (160968-99-0)

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide; at 120 ℃; for 6h;

upstream raw materials:

2,2,2-trifluoroethanol

N-(phenoxy)-4-methylbenzenesulfonamide

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

2-methoxy-phenol

Downstream raw materials:

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

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

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

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