1-Ethyl-3-ethynylbenzene

Base Information

Chemical Name:1-Ethyl-3-ethynylbenzene
CAS No.:29074-77-9
Molecular Formula:C10H10
Molecular Weight:130.189
Hs Code.:2902909090
European Community (EC) Number:893-920-4
DSSTox Substance ID:DTXSID80535729
Wikidata:Q82410137
Mol file:29074-77-9.mol

Synonyms:1-ethyl-3-ethynylbenzene;29074-77-9;3-Ethylphenylacetylene;Benzene, 1-ethyl-3-ethynyl- (8CI,9CI);Benzene, 1-ethyl-3-ethynyl-;m-ethylethynylbenzene;DTXSID80535729;QJJMPZVSYKPHNV-UHFFFAOYSA-N;MFCD11655757;AKOS012332560;BS-50360;CS-0370479;E82740;EN300-213781

Suppliers and Price of 1-Ethyl-3-ethynylbenzene

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

Crysdot
1-Ethyl-3-Ethynylbenzene 95+%
5g
$ 889.00

American Custom Chemicals Corporation
1-ETHYL-3-ETHYNYL-BENZENE 95.00%
5MG
$ 496.02

Total 5 raw suppliers

Chemical Property of 1-Ethyl-3-ethynylbenzene

Chemical Property:

Boiling Point:195.6±19.0 °C(Predicted)
PSA：0.00000
Density:0.92±0.1 g/cm3(Predicted)
LogP:2.23030
XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:2
Exact Mass:130.078250319
Heavy Atom Count:10
Complexity:137

Purity/Quality:

97% ^*data from raw suppliers

1-Ethyl-3-Ethynylbenzene 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC1=CC(=CC=C1)C#C

Technology Process of 1-Ethyl-3-ethynylbenzene

There total 3 articles about 1-Ethyl-3-ethynylbenzene 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: 100.0%

: 1065169-08-5
3-ethyl-1-(trimethylsilylethynyl)benzene

: 29074-77-9
1-ethyl-3-ethynylbenzene

Guidance literature:: With potassium carbonate; In methanol; at 25 ℃; for 1h;

Reference yield:

: 19164-77-3
1-ethyl-3-iodobenzene

: 29074-77-9
1-ethyl-3-ethynylbenzene

Guidance literature:: Multi-step reaction with 2 steps

1: copper(l) iodide; bis-triphenylphosphine-palladium(II) chloride; triethylamine / 1,4-dioxane / 5 h / 45 °C / Inert atmosphere

2: potassium fluoride / methanol / 3 h / 20 °C

With bis-triphenylphosphine-palladium(II) chloride; potassium fluoride; copper(l) iodide; triethylamine; In 1,4-dioxane; methanol; 1: Sonogashira coupling;
DOI:10.1021/jm300260v