Benzene, (5-methyl-4-hexen-1-ynyl)-

Base Information

Chemical Name:Benzene, (5-methyl-4-hexen-1-ynyl)-
CAS No.:115584-90-2
Molecular Formula:C13H14
Molecular Weight:170.254
Hs Code.:
DSSTox Substance ID:DTXSID50439902
Nikkaji Number:J462.317G
Mol file:115584-90-2.mol

Synonyms:Benzene, (5-methyl-4-hexen-1-ynyl)-;115584-90-2;DTXSID50439902;2-Methyl-6-phenyl-2-hexen-5-yne

Suppliers and Price of Benzene, (5-methyl-4-hexen-1-ynyl)-

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, (5-methyl-4-hexen-1-ynyl)-

Chemical Property:

XLogP3:4.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:2
Exact Mass:170.109550447
Heavy Atom Count:13
Complexity:223

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Benzene, (5-methyl-4-hexen-1-ynyl)-

There total 5 articles about Benzene, (5-methyl-4-hexen-1-ynyl)- 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%

: 536-74-3
phenylacetylene

: 503-60-6
3,3-dimethyl-allyl chloride

: 115584-90-2
1-phenyl-5-methylhex-4-en-1-yne

Guidance literature:: With copper(l) iodide; potassium carbonate; In N,N-dimethyl-formamide; at 40 ℃; for 1.3h;
DOI:10.1007/BF01557520

Reference yield: 82.0%

: 932-88-7
1-iodo-2-phenylethyne

: 870-63-3
prenyl bromide

: 115584-90-2
1-phenyl-5-methylhex-4-en-1-yne

Guidance literature:: With indium; triphenylphosphine; lithium chloride; tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; In N,N-dimethyl-formamide; at 100 ℃; for 1h;
DOI:10.1021/jo026121u

Reference yield:

: 536-74-3
phenylacetylene

: 870-63-3
prenyl bromide

: 34600-27-6
3,3-dimethyl-5-phenylpent-1-en-4-yne

: 115584-90-2
1-phenyl-5-methylhex-4-en-1-yne

Guidance literature:: With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; copper(l) chloride; In dichloromethane; water; at 20 ℃; for 23h; Yield given. Yields of byproduct given;
DOI:10.1021/jo00033a055