Phenol, 4-ethynyl-, acetate

Base Information

Chemical Name:Phenol, 4-ethynyl-, acetate
CAS No.:16141-18-7
Molecular Formula:C10H8 O2
Molecular Weight:160.172
Hs Code.:2915390090
DSSTox Substance ID:DTXSID10936523
Nikkaji Number:J812.092G
Wikidata:Q82912732
Mol file:16141-18-7.mol

Synonyms:16141-18-7;4-ETHYNYLPHENYL ACETATE;Phenol, 4-ethynyl-, acetate;(4-ethynylphenyl) Acetate;Phenol, 4-ethynyl-, 1-acetate;SCHEMBL597490;DTXSID10936523;MFCD09039131;AKOS006331916

Suppliers and Price of Phenol, 4-ethynyl-, acetate

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

GFS CHEMICALS
4-ETHYNYLPHENYLACETATE
5 G
$ 192.21

GFS CHEMICALS
4-ETHYNYLPHENYLACETATE
1 G
$ 77.08

American Custom Chemicals Corporation
4-ETHYNYLPHENYL ACETATE 95.00%
5MG
$ 504.59

Total 6 raw suppliers

Chemical Property of Phenol, 4-ethynyl-, acetate

Chemical Property:

Vapor Pressure:0.053mmHg at 25°C
Boiling Point:234.444°C at 760 mmHg
Flash Point:89.477°C
PSA：26.30000
Density:1.114g/cm³
LogP:1.59320
XLogP3:2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:160.052429494
Heavy Atom Count:12
Complexity:203

Purity/Quality:

99% ^*data from raw suppliers

4-ETHYNYLPHENYLACETATE ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)OC1=CC=C(C=C1)C#C

Technology Process of Phenol, 4-ethynyl-, acetate

There total 6 articles about Phenol, 4-ethynyl-, acetate 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: 99.0%

: 165825-13-8
4-((2-trimethylsilyl)ethynyl)phenyl acetate

: 16141-18-7
para-acetoxyphenylacetylene

Guidance literature:: With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 0 ℃; for 0.5h;
DOI:10.1039/c3ob41771a

Reference yield:

: 540-38-5
p-Iodophenol

: 16141-18-7
para-acetoxyphenylacetylene

Guidance literature:: Multi-step reaction with 2 steps

1: Et₃N / CH₂Cl₂

2: Pd(PPh₃)4 / CH₂Cl₂

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; triethylamine; In dichloromethane;
DOI:10.1055/s-1997-1513

Reference yield:

: 33527-94-5
4-acetoxyiodobenzene

: 16141-18-7
para-acetoxyphenylacetylene

Guidance literature:: Multi-step reaction with 2 steps

1: bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; tert-butylamine / toluene / 24 h / 40 °C / Inert atmosphere

2: tetrabutyl ammonium fluoride / tetrahydrofuran / 0.5 h / 0 °C

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; tetrabutyl ammonium fluoride; tert-butylamine; In tetrahydrofuran; toluene; 1: |Sonogashira Cross-Coupling;
DOI:10.1039/c3ob41771a