1-Ethenyl-4-isocyanatobenzene

Base Information

Chemical Name:1-Ethenyl-4-isocyanatobenzene
CAS No.:2487-96-9
Molecular Formula:C₉H₇NO
Molecular Weight:145.161
Hs Code.:
DSSTox Substance ID:DTXSID801307378
Nikkaji Number:J798.780C

Synonyms:1-ethenyl-4-isocyanatobenzene;2487-96-9;SCHEMBL325040;DTXSID801307378;AKOS040806459;EN300-4361445

Suppliers and Price of 1-Ethenyl-4-isocyanatobenzene

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-Ethenyl-4-isocyanatobenzene

Chemical Property:

XLogP3:3.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:145.052763847
Heavy Atom Count:11
Complexity:174

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C=CC1=CC=C(C=C1)N=C=O

Technology Process of 1-Ethenyl-4-isocyanatobenzene

There total 4 articles about 1-Ethenyl-4-isocyanatobenzene 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:

: 13287-86-0
4-vinylbenzoyl azide

: 2487-96-9
1-isocyanato-4-vinylbenzene

Guidance literature:: In toluene; at 100 ℃; for 1h; Yield given;
DOI:10.1021/ja9818295

Reference yield:

: 1075-49-6
4-ethenylbenzoic acid

: 2487-96-9
1-isocyanato-4-vinylbenzene

Guidance literature:: Multi-step reaction with 3 steps

1: triethylamine / acetone / 0.5 h / 0 °C

2: aq. NaN₃ / acetone / 1 h

3: toluene / 1 h / 100 °C

With sodium azide; triethylamine; In acetone; toluene;
DOI:10.1021/ja9818295

Reference yield:

: C₁₂H₁₂O₄

: 2487-96-9
1-isocyanato-4-vinylbenzene

Guidance literature:: Multi-step reaction with 2 steps

1: aq. NaN₃ / acetone / 1 h

2: toluene / 1 h / 100 °C

With sodium azide; In acetone; toluene;
DOI:10.1021/ja9818295