3-(4-Trifluoromethoxyphenyl)phenol

Base Information

Chemical Name:3-(4-Trifluoromethoxyphenyl)phenol
CAS No.:1237747-77-1
Molecular Formula:C₁₃H₉F₃O₂
Molecular Weight:254.208
Hs Code.:2909499000
DSSTox Substance ID:DTXSID70683607
Nikkaji Number:J3.398.004C
Wikidata:Q82608673
Mol file:1237747-77-1.mol

Synonyms:3-(4-TRIFLUOROMETHOXYPHENYL)PHENOL;1237747-77-1;4'-(Trifluoromethoxy)-[1,1'-biphenyl]-3-ol;3-[4-(trifluoromethoxy)phenyl]phenol;SCHEMBL1029424;DTXSID70683607;JRRQYCVOENWMLA-UHFFFAOYSA-N;MFCD18312996;BS-19571;4'-(Trifluoromethoxy)[1,1'-biphenyl]-3-ol

Suppliers and Price of 3-(4-Trifluoromethoxyphenyl)phenol

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
3-(4-Trifluoromethoxyphenyl)phenol
100mg
$ 60.00

TRC
3-(4-Trifluoromethoxyphenyl)phenol
50mg
$ 45.00

Crysdot
4'-(Trifluoromethoxy)-[1,1'-biphenyl]-3-ol 95+%
5g
$ 339.00

Crysdot
4'-(Trifluoromethoxy)-[1,1'-biphenyl]-3-ol 95+%
10g
$ 564.00

AK Scientific
3-(4-Trifluoromethoxyphenyl)phenol
5g
$ 531.00

Total 1 raw suppliers

Chemical Property of 3-(4-Trifluoromethoxyphenyl)phenol

Chemical Property:

Boiling Point:328.9±42.0 °C(Predicted)
PKA:9.58±0.10(Predicted)
PSA：29.46000
Density:1.313±0.06 g/cm3(Predicted)
LogP:3.95780
XLogP3:4.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:254.05546401
Heavy Atom Count:18
Complexity:260

Purity/Quality:: 3-(4-Trifluoromethoxyphenyl)phenol ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC(=C1)O)C2=CC=C(C=C2)OC(F)(F)F

Technology Process of 3-(4-Trifluoromethoxyphenyl)phenol

There total 3 articles about 3-(4-Trifluoromethoxyphenyl)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: 48.0%

: C₂₇H₁₇BF₉O₄^(1-)*K⁽¹⁺⁾

: 1237747-77-1
4'-(trifluoromethoxy)-[1,1'-biphenyl]-3-ol

Guidance literature:: With 10-methyl-9-(2,4,6-trimethylphenyl) acridinium tetrafluoroborate; oxygen; In acetonitrile; at 50 ℃; for 16h; Inert atmosphere; Irradiation;
DOI:10.1002/chem.202005282

Reference yield:

: 4,4,5,5-tetramethyl-2-(4'-(trifluoromethoxy)-[1,1'-biphenyl]-3-yl)-1,3,2-dioxaborolane

: 1237747-77-1
4'-(trifluoromethoxy)-[1,1'-biphenyl]-3-ol

Guidance literature:: With dihydrogen peroxide; In tetrahydrofuran; water; at 0 - 20 ℃; for 3h; chemoselective reaction; Inert atmosphere;
DOI:10.1039/c5ob00078e

Reference yield:

: 871231-45-7
potassium (3-hydroxyphenyl)trifluoroborate

: 1237747-77-1
4'-(trifluoromethoxy)-[1,1'-biphenyl]-3-ol

Guidance literature:: Multi-step reaction with 2 steps

1: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium phosphate / tetrahydrofuran; water / 24 h / 90 °C / Inert atmosphere

2: dihydrogen peroxide / tetrahydrofuran; water / 3 h / 0 - 20 °C / Inert atmosphere

With potassium phosphate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; dihydrogen peroxide; In tetrahydrofuran; water; 1: |Suzuki-Miyaura Coupling;
DOI:10.1039/c5ob00078e