1-Ethynyl-2-(propan-2-yloxy)benzene

Base Information

Chemical Name:1-Ethynyl-2-(propan-2-yloxy)benzene
CAS No.:66021-95-2
Molecular Formula:C11H12O
Molecular Weight:160.216
Hs Code.:
DSSTox Substance ID:DTXSID50496292
Nikkaji Number:J2.206.984E
Wikidata:Q82345046

Synonyms:1-ethynyl-2-(propan-2-yloxy)benzene;66021-95-2;1-Ethynyl-2-isopropoxybenzene;1-ethynyl-2-propan-2-yloxybenzene;SCHEMBL544279;DTXSID50496292;AKOS018988072;1-Ethynyl-2-[(propan-2-yl)oxy]benzene;EN300-264201;Z1404683683

Suppliers and Price of 1-Ethynyl-2-(propan-2-yloxy)benzene

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

Total 5 raw suppliers

Chemical Property of 1-Ethynyl-2-(propan-2-yloxy)benzene

Chemical Property:

XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:160.088815002
Heavy Atom Count:12
Complexity:175

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)OC1=CC=CC=C1C#C

Technology Process of 1-Ethynyl-2-(propan-2-yloxy)benzene

There total 4 articles about 1-Ethynyl-2-(propan-2-yloxy)benzene 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: 94.0%

: 857335-90-1
1-iodo-2-isopropoxybenzene

: 1066-54-2
trimethylsilylacetylene

: 66021-95-2
1-ethynyl-2-isopropoxybenzene

Guidance literature:: 1-iodo-2-isopropoxybenzene; trimethylsilylacetylene; With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; at 20 ℃;

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 0 - 20 ℃;
DOI:10.1002/anie.201712775

Reference yield:

: 863782-94-9
[(2-isopropoxyphenyl)ethynyl](trimethyl)silane

: 66021-95-2
1-ethynyl-2-isopropoxybenzene

Guidance literature:: With potassium carbonate; In methanol; dichloromethane; at 30 ℃; for 2h;
DOI:10.1021/acs.orglett.0c03038

Reference yield:

: 533-58-4
2-Iodophenol

: 66021-95-2
1-ethynyl-2-isopropoxybenzene

Guidance literature:: Multi-step reaction with 2 steps

1.1: potassium carbonate / N,N-dimethyl-formamide / 50 °C / Glovebox; Inert atmosphere

2.1: bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine / 20 °C

2.2: 0 - 20 °C

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; potassium carbonate; triethylamine; In N,N-dimethyl-formamide;
DOI:10.1002/anie.201712775