2-(Trifluoromethoxy)phenol

Base Information

• Chemical Name: 2-(Trifluoromethoxy)phenol
• CAS No.: 32858-93-8
• Molecular Formula: C7H5F3O2
• Molecular Weight: 178.111
• Hs Code.: 29095000
• European Community (EC) Number: 642-553-6
• DSSTox Substance ID: DTXSID70380462
• Nikkaji Number: J1.490.418B
• Wikidata: Q72511456
• Mol file: 32858-93-8.mol

Synonyms:2-(Trifluoromethoxy)phenol;32858-93-8;2-trifluoromethoxyphenol;2-(Trifluorormethoxy)phenol;2-Hydroxyphenyl Trifluoromethyl Ether;2-trifluoromethoxy phenol;trifluoromethoxyphenol;Phenol, 2-(trifluoromethoxy)-;o-trifluoromethoxy phenol;MFCD00236324;O-TRIFLUOROMETHOXYPHENOL;2-(trifluormethoxy)phenol;Trifluoromethoxy phenol;2-trifluoromethoxy-phenol;2-(trifluoromethyloxy)phenol;SCHEMBL225016;GQWMNVOVQZIPJC-UHFFFAOYSA-;DTXSID70380462;BCP27397;AKOS005257929;CS-W017348;PS-8564;2-(Trifluoromethoxy)phenol, AldrichCPR;AC-17472;BP-11107;SY020774;AM20050275;FT-0608931;T2156;2,2,3,3-TETRAMETHYLSUCCINICACID,97;EN300-133018;O10542;O-trifluoromethoxy phenol;InChI=1/C7H5F3O2/c8-7(9,10)12-6-4-2-1-3-5(6)11/h1-4,11H

Chemical Property of 2-(Trifluoromethoxy)phenol

Chemical Property:

• Appearance/Colour: colorless transparent liquid
• Refractive Index: 1.443
• Boiling Point: 156.8 °C at 760 mmHg
• PKA: 8.22±0.30(Predicted)
• Flash Point: 81 °C
• PSA: 29.46000
• Density: 1.388 g/cm³
• LogP: 2.29080
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 178.02416388
• Heavy Atom Count: 12
• Complexity: 146

Purity/Quality:

99% ^*data from raw suppliers

2-(Trifluoromethoxy)phenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,T
• Statements: 10-20/21/22-34-43-36-25-36/38
• Safety Statements: 26-36/37/39-45-36/37

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(Trifluoromethoxy)phenol

There total 3 articles about 2-(Trifluoromethoxy)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: 88.0%

1-trifluoromethoxybenzene (456-55-3) → 2-(trifluoromethoxy)phenol (32858-93-8)

Guidance literature:

1-trifluoromethoxybenzene; With N,N,N,N,-tetramethylethylenediamine; sec.-butyllithium; In tetrahydrofuran; cyclohexane; at -75 ℃; for 2h;

With fluorodimethoxyborane diethyl etherate; In tetrahydrofuran; cyclohexane; at -75 ℃;

With sodium hydroxide; dihydrogen peroxide; In tetrahydrofuran; cyclohexane; Further stages.;

DOI:10.1002/1099-0690(200102)2001:4<691::AID-EJOC691>3.0.CO;2-A

Reference yield: 27.0%

1-methoxy-2-(trifluoromethoxy)benzene (261952-22-1) → 2-(trifluoromethoxy)phenol (32858-93-8) + C8H7F3O2 (1261609-52-2) + 2-methoxy-phenol (90-05-1)

Guidance literature:

With hydrogen fluoride; tantalum pentachloride;

DOI:10.1016/j.jfluchem.2010.08.003

Reference yield:

→ 2-(trifluoromethoxy)phenol (32858-93-8)

Guidance literature:

o-Aminophenylfluormethylaether, Na2SO3;

upstream raw materials:

1-trifluoromethoxybenzene

1-methoxy-2-(trifluoromethoxy)benzene

Downstream raw materials:

4-(2-trifluoromethoxy-phenoxy)-piperidine-1-carboxylic acid tert-butyl ester

4-bromo-2-(trifluoromethoxy)phenol

2-trifluoromethoxy-4-(phenyldiazenyl)phenol

methyl (2-(trifluoromethoxy)phenyl) carbonate

Refernces

• 1、 Castagnetti, Eva,Schlosser, Manfred. "2-, 3-, and 4-(Trifluoromethoxy)phenyllithiums: Versatile intermediates offering access to a variety of new organofluorine compounds". . p. 691 - 695. Retrieved 2007/10/03.