Benzene, 1-bromo-4-(1-hexynyl)-

Base Information

Chemical Name:Benzene, 1-bromo-4-(1-hexynyl)-
CAS No.:190649-11-7
Molecular Formula:C12H13Br
Molecular Weight:237.139
Hs Code.:
DSSTox Substance ID:DTXSID50461980
Nikkaji Number:J1.208.666K
Wikidata:Q82286444
Mol file:190649-11-7.mol

Synonyms:Benzene, 1-bromo-4-(1-hexynyl)-;190649-11-7;SCHEMBL4623168;DTXSID50461980

Suppliers and Price of Benzene, 1-bromo-4-(1-hexynyl)-

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of Benzene, 1-bromo-4-(1-hexynyl)-

Chemical Property:

PSA：0.00000
LogP:3.99080
XLogP3:4.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:3
Exact Mass:236.02006
Heavy Atom Count:13
Complexity:188

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of Benzene, 1-bromo-4-(1-hexynyl)-

There total 6 articles about Benzene, 1-bromo-4-(1-hexynyl)- 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%

: 589-87-7
1,4-bromoiodobenzene

: 693-02-7
hex-1-yne

: 190649-11-7
1-bromo-4-(hex-1-yn-1-yl)benzene

Guidance literature:: With copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; diethylamine; In N,N-dimethyl-formamide; at 40 ℃;
DOI:10.1002/ejoc.200400568

Reference yield: 90.0%

: 5467-74-3
4-Bromophenylboronic acid

: 693-02-7
hex-1-yne

: 190649-11-7
1-bromo-4-(hex-1-yn-1-yl)benzene

Guidance literature:: With caesium carbonate; triphenylphosphine; silver(l) oxide; In dichloromethane; at 35 ℃; for 5h; Inert atmosphere;
DOI:10.1016/j.jorganchem.2010.12.038

Reference yield: 83.0%

: 766-96-1
4-bromo-1-ethynylbenzene

: 42930-39-2
n-butylzinc chloride

: 190649-11-7
1-bromo-4-(hex-1-yn-1-yl)benzene

Guidance literature:: With carbon monoxide; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In tetrahydrofuran; at 20 ℃; for 24h; under 760.051 Torr;
DOI:10.1021/ja100630p