Benzonitrile, 2-(1-hexynyl)-

Base Information

Chemical Name:Benzonitrile, 2-(1-hexynyl)-
CAS No.:110166-78-4
Molecular Formula:C13H13N
Molecular Weight:183.253
Hs Code.:
DSSTox Substance ID:DTXSID70452532
Nikkaji Number:J1.197.385J
Wikidata:Q82273229
Mol file:110166-78-4.mol

Synonyms:Benzonitrile, 2-(1-hexynyl)-;110166-78-4;2-(1-Hexynyl)benzonitrile;DTXSID70452532

Suppliers and Price of Benzonitrile, 2-(1-hexynyl)-

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
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price

Total 1 raw suppliers

Chemical Property of Benzonitrile, 2-(1-hexynyl)-

Chemical Property:

XLogP3:3.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:183.104799419
Heavy Atom Count:14
Complexity:269

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCC#CC1=CC=CC=C1C#N

Technology Process of Benzonitrile, 2-(1-hexynyl)-

There total 7 articles about Benzonitrile, 2-(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: 90.0%

: 4387-36-4
2-iodobenzonitrile

: 693-02-7
hex-1-yne

: 110166-78-4
2-(hex-1-yn-1-yl)benzonitrile

Guidance literature:: With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; In tetrahydrofuran; at 20 ℃; for 16h;
DOI:10.1002/ejoc.201900701

Reference yield: 89.0%

: 2042-37-7
o-cyanobromobenzene

: 693-02-7
hex-1-yne

: 110166-78-4
2-(hex-1-yn-1-yl)benzonitrile

Guidance literature:: With copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; N-butylamine; In tetrahydrofuran; at 80 ℃; for 4h;
DOI:10.1016/j.tet.2009.08.009

Reference yield: 88.0%

: 873-32-5
2-Chlorobenzonitrile

: 693-02-7
hex-1-yne

: 110166-78-4
2-(hex-1-yn-1-yl)benzonitrile

Guidance literature:: With piperidine; C₂₈H₄₄N₂PPd; tetrabutylammomium bromide; In water; N,N-dimethyl-formamide; at 50 ℃; for 4h;
DOI:10.1002/adsc.201100747