4-(Trifluoromethoxy)phenol

Base Information

• Chemical Name: 4-(Trifluoromethoxy)phenol
• CAS No.: 828-27-3
• Molecular Formula: C7H5F3O2
• Molecular Weight: 178.111
• Hs Code.: 29095090
• European Community (EC) Number: 212-583-0
• DSSTox Substance ID: DTXSID60232002
• Nikkaji Number: J195.090H
• Wikidata: Q72511458
• ChEMBL ID: CHEMBL2326881
• Mol file: 828-27-3.mol

Synonyms:4-(Trifluoromethoxy)phenol;828-27-3;4-Trifluoromethoxyphenol;p-Trifluoromethoxy phenol;p-(Trifluoromethoxy)phenol;Phenol, 4-(trifluoromethoxy)-;4-trifluoromethoxy phenol;C7H5F3O2;4-trifluoromethoxy-phenol;phenol, 4-(trifluoromethoxy);4-hydroxytrifluoromethoxybenzene;CHEMBL2326881;EINECS 212-583-0;MFCD00040988;4-Hydroxyphenyl Trifluoromethyl Ether;4-trifluoro methoxyphenol;4-(trifluoromethoxy)-phenol;4-(trifluoromethyloxy)-phenol;SCHEMBL221511;DTXSID60232002;4-(Trifluoromethoxy)phenol, 98%;BCP31185;C7-H5-F3-O2;BDBM50490492;AKOS005254971;CS-W003970;PS-8563;AC-13072;AM20041217;FT-0616896;T1341;EN300-91578;R-2-PHENYL-THIAZOLIDINE-4-CARBOXYLICACID;W-104158

Chemical Property of 4-(Trifluoromethoxy)phenol

Chemical Property:

• Appearance/Colour: clear brown liquid
• Vapor Pressure: 0.519mmHg at 25°C
• Melting Point: 17-18 °C
• Refractive Index: n20/D 1.447(lit.)
• Boiling Point: 187.5 °C at 760 mmHg
• PKA: 9.30±0.13(Predicted)
• Flash Point: 86.1 °C
• PSA: 29.46000
• Density: 1.388 g/cm³
• LogP: 2.29080
• Storage Temp.: Store below +30°C.
• Solubility.: Chloroform, Methanol
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 178.02416388
• Heavy Atom Count: 12
• Complexity: 138

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-27-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1O)OC(F)(F)F
• Uses: 4-(Trifluoromethoxy)phenol is used as a reactant in the preparation of 1-aryloxyethyl piperazine derivatives as Kv1.5 potassium channel inhibitors. 4-(Trifluoromethoxy)phenol was employed in the catalytic enantioselective synthesis of esters. Intermediates of Liquid Crystals

Technology Process of 4-(Trifluoromethoxy)phenol

There total 15 articles about 4-(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: 96.0%

4,4,5,5-tetramethyl-2-(4-(trifluoromethyloxy)phenyl)-1,3,2-dioxaborolane (474709-28-9) → 4-Trifluoromethoxyphenol (828-27-3)

Guidance literature:

With iron(III) chloride; hydrazine hydrate; potassium carbonate; at 150 ℃; for 10h;

Reference yield: 92.3%

1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-4-trifluoromethoxybenzene → 4-Trifluoromethoxyphenol (828-27-3)

Guidance literature:

With sodium cyanide; In ethanol; water; at 50 ℃; for 12h; chemoselective reaction;

DOI:10.5935/0103-5053.20150342

Reference yield: 92.0%

4-trifluoromethoxyphenylboronic acid (139301-27-2) → 4-Trifluoromethoxyphenol (828-27-3)

Guidance literature:

With iron(III) oxide; oxygen; In tetrahydrofuran; Irradiation;

DOI:10.1016/j.tetlet.2013.12.003

upstream raw materials:

4-(trifluoromethoxy)aniline

p-trifluoromethoxybenzaldehyde

starch

1-methoxy-4-(trifluoromethoxy)benzene

Downstream raw materials:

3,5-bis-(4-trifluoromethoxy-phenoxy)-pyridine-4-carbaldehyde

1-(methoxymethoxy)-4-(trifluoromethoxy)benzene

4-(trifluoromethoxy)-2-chlorophenol

2-Bromo-4-(trifluoromethoxy)phenol

Refernces

• 1、 Dong, Bin,Ke, Yanxiong,Lu, Guangying,Ren, Jiangmeng,Ren, Yaoyao,Zeng, Bu-Bing,Zhou, Bin. "A practical method for preparation of phenols from arylboronic acids catalyzed by iodopovidone in aqueous medium". . . Retrieved 2019/09/06.
• 2、 Xu, Tiefeng,Lu, Wangyang,Wu, Xiao-Feng,Chen, Wenxing. "Solar-driven conversion of arylboronic acids to phenols using metal-free heterogeneous photocatalysts". . p. 63 - 67. Retrieved 2019/09/10.