2,6-Ditert-butyl-4-ethynylphenol

Base Information

Chemical Name:2,6-Ditert-butyl-4-ethynylphenol
CAS No.:36384-85-7
Molecular Formula:C16H22O
Molecular Weight:230.34528
Hs Code.:2907199090
DSSTox Substance ID:DTXSID80514519
Nikkaji Number:J2.112.404D
Wikidata:Q82374895
Mol file:36384-85-7.mol

Synonyms:2,6-Ditert-butyl-4-ethynylphenol;36384-85-7;2,6-di-tert-butyl-4-ethynylphenol;2,6-DI-TERT-BUTYL-4-ETHYNYL-PHENOL;SCHEMBL3630287;DTXSID80514519;A18691;Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethynyl-

Suppliers and Price of 2,6-Ditert-butyl-4-ethynylphenol

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

American Custom Chemicals Corporation
2,6-DI-TERT-BUTYL-4-ETHYNYL-PHENOL 95.00%
5MG
$ 500.62

Total 7 raw suppliers

Chemical Property of 2,6-Ditert-butyl-4-ethynylphenol

Chemical Property:

Vapor Pressure:0.001mmHg at 25°C
Melting Point:107-108 °C
Refractive Index:1.525
Boiling Point:290.325°C at 760 mmHg
PKA:10.08±0.40(Predicted)
Flash Point:121.878°C
PSA：20.23000
Density:0.976g/cm³
LogP:3.96850
XLogP3:5.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:230.167065321
Heavy Atom Count:17
Complexity:283

Purity/Quality:

97% ^*data from raw suppliers

2,6-DI-TERT-BUTYL-4-ETHYNYL-PHENOL 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C#C

Technology Process of 2,6-Ditert-butyl-4-ethynylphenol

There total 4 articles about 2,6-Ditert-butyl-4-ethynylphenol 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:

: 113101-89-6
4-(2-trimethylsilylethynyl)-2,6-di-tert-butyl(trimethylsiloxy)benzene

: 36384-85-7
2,6-di-tert-butyl-4-ethynylphenol

Guidance literature:: With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 0 ℃; for 2h;
DOI:10.1002/ejoc.200400021

Reference yield:

: 27329-74-4
(4-Bromo-2,6-di-tert-butylphenoxy)trimethylsilane

: 36384-85-7
2,6-di-tert-butyl-4-ethynylphenol

Guidance literature:: Multi-step reaction with 2 steps

1: 6.14 g / CuI; triethylamine / (dichloro)bis(triphenylphosphane)palladium / 4 h / Heating

2: 3.91 g / nBu₄NF / tetrahydrofuran / 2 h / 0 °C

With copper(l) iodide; tetrabutyl ammonium fluoride; triethylamine; bis-triphenylphosphine-palladium(II) chloride; In tetrahydrofuran;
DOI:10.1002/ejoc.200400021