1-(Hex-1-yn-1-yl)-3-methylbenzene

Base Information

Chemical Name:1-(Hex-1-yn-1-yl)-3-methylbenzene
CAS No.:252045-81-1
Molecular Formula:C13H16
Molecular Weight:172.27
Hs Code.:
DSSTox Substance ID:DTXSID30573050
Nikkaji Number:J1.493.695E
Wikidata:Q82461624
Mol file:252045-81-1.mol

Synonyms:252045-81-1;1-Hex-1-ynyl-3-methyl-benzene;DTXSID30573050;1-(Hex-1-yn-1-yl)-3-methylbenzene

Suppliers and Price of 1-(Hex-1-yn-1-yl)-3-methylbenzene

Supply Marketing:

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

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Chemical Property of 1-(Hex-1-yn-1-yl)-3-methylbenzene

Chemical Property:

XLogP3:4.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:3
Exact Mass:172.125200510
Heavy Atom Count:13
Complexity:191

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCCCC#CC1=CC=CC(=C1)C

Technology Process of 1-(Hex-1-yn-1-yl)-3-methylbenzene

There total 10 articles about 1-(Hex-1-yn-1-yl)-3-methylbenzene 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%

: 591-17-3
meta-bromotoluene

: 693-02-7
hex-1-yne

: 252045-81-1
1-(1-hexyn-1-yl)-3-methylbenzene

Guidance literature:: With triethylamine; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; at 90 ℃;
DOI:10.1021/jo000997o

Reference yield: 92.0%

: 625-95-6
3-Iodotoluene

: 693-02-7
hex-1-yne

: 252045-81-1
1-(1-hexyn-1-yl)-3-methylbenzene

Guidance literature:: With potassium carbonate; triphenylphosphine; copper(l) iodide; cobalt palladium; In water; at 80 ℃; for 6h;
DOI:10.1039/b604581m

Reference yield: 85.0%

: 625-95-6
3-Iodotoluene

: 1159987-54-8
tri(hexyn-1-yl)indium

: 252045-81-1
1-(1-hexyn-1-yl)-3-methylbenzene

Guidance literature:: With 3-aminopropyl-functionalized silica supported MCM-41-immobilized palladium⁽⁰⁾-[(pyridin-2-yl)methylidene]amine complex; In tetrahydrofuran; at 68 ℃; for 2h; Inert atmosphere;
DOI:10.1016/j.jorganchem.2017.10.013