1-(1-Hexyn-1-yl)-2-isocyanobenzene

Base Information

Chemical Name:1-(1-Hexyn-1-yl)-2-isocyanobenzene
CAS No.:247222-82-8
Molecular Formula:C₁₃H₁₃N
Molecular Weight:183.253
Hs Code.:
DSSTox Substance ID:DTXSID901295863
Nikkaji Number:J1.160.883C

Synonyms:DTXSID901295863;1-(1-Hexyn-1-yl)-2-isocyanobenzene;247222-82-8

Suppliers and Price of 1-(1-Hexyn-1-yl)-2-isocyanobenzene

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 1-(1-Hexyn-1-yl)-2-isocyanobenzene

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:

Useful:

Canonical SMILES:CCCCC#CC1=CC=CC=C1[N+]#[C-]

Technology Process of 1-(1-Hexyn-1-yl)-2-isocyanobenzene

There total 5 articles about 1-(1-Hexyn-1-yl)-2-isocyanobenzene 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:

: 302351-88-8
N-(2-(hex-1-yn-1-yl)phenyl)formamide

: 247222-82-8
2-(1-hexynyl)phenyl isocyanide

Guidance literature:: With diisopropylamine; trichlorophosphate;
DOI:10.1021/jo000831n

Reference yield:

: 10113-39-0
N-formyl-2-iodoaniline

: 247222-82-8
2-(1-hexynyl)phenyl isocyanide

Guidance literature:: Multi-step reaction with 2 steps

1: 100 percent / CuI; Et₃N; PPh₃ / PdCl₂(PPh₃)2 / tetrahydrofuran

2: POCl₃; i-Pr₂NH

With copper(l) iodide; triethylamine; diisopropylamine; triphenylphosphine; trichlorophosphate; bis-triphenylphosphine-palladium(II) chloride; In tetrahydrofuran; 1: Sonogashira coupling / 2: Dehydration;
DOI:10.1021/jo000831n

Reference yield:

: 693-02-7
hex-1-yne

: 247222-82-8
2-(1-hexynyl)phenyl isocyanide

Guidance literature:: Multi-step reaction with 2 steps

1: 100 percent / CuI; Et₃N; PPh₃ / PdCl₂(PPh₃)2 / tetrahydrofuran

2: POCl₃; i-Pr₂NH

With copper(l) iodide; triethylamine; diisopropylamine; triphenylphosphine; trichlorophosphate; bis-triphenylphosphine-palladium(II) chloride; In tetrahydrofuran; 1: Sonogashira coupling / 2: Dehydration;
DOI:10.1021/jo000831n