Benzene, 1-isocyanato-2-(phenylethynyl)-

Base Information

Chemical Name:Benzene, 1-isocyanato-2-(phenylethynyl)-
CAS No.:220466-11-5
Molecular Formula:C15H9NO
Molecular Weight:219.243
Hs Code.:
DSSTox Substance ID:DTXSID20440762
Nikkaji Number:J1.494.598I
Mol file:220466-11-5.mol

Synonyms:Benzene, 1-isocyanato-2-(phenylethynyl)-;220466-11-5;DTXSID20440762;2-(Phenylethynyl)phenyl isocyanate

Suppliers and Price of Benzene, 1-isocyanato-2-(phenylethynyl)-

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
Packaging
price

Total 1 raw suppliers

Chemical Property of Benzene, 1-isocyanato-2-(phenylethynyl)-

Chemical Property:

XLogP3:4.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:219.068413911
Heavy Atom Count:17
Complexity:350

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C#CC2=CC=CC=C2N=C=O

Technology Process of Benzene, 1-isocyanato-2-(phenylethynyl)-

There total 2 articles about Benzene, 1-isocyanato-2-(phenylethynyl)- 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: 81.0%

: 32315-10-9
bis(trichloromethyl) carbonate

: 13141-38-3
2-phenylethynylaniline

: 220466-11-5
1-isocyanato-2-(2-phenylethynyl)benzene

Guidance literature:: With triethylamine; In benzene; at 20 ℃; for 6h;
DOI:10.1021/jo049716t

Reference yield: 73.0%

: 1084-95-3
2-(2'-phenylethynyl)benzoic acid

: 220466-11-5
1-isocyanato-2-(2-phenylethynyl)benzene

Guidance literature:: With diphenyl phosphoryl azide; triethylamine; In benzene;
DOI:10.1021/jo981845k

Reference yield: 99.0%

: 104376-24-1,59239-44-0
(E)-1-pentenylboronic acid

: 220466-11-5
1-isocyanato-2-(2-phenylethynyl)benzene

: 1072123-37-5
C₂₀H₁₉NO

Guidance literature:: With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; at 20 ℃; for 12h; optical yield given as %de; Inert atmosphere;
DOI:10.1021/ol801844w