1-Tert-butyl-4-isocyanobenzene

Base Information

Chemical Name:1-Tert-butyl-4-isocyanobenzene
CAS No.:602262-03-3
Molecular Formula:C11H13N
Molecular Weight:159.231
Hs Code.:
DSSTox Substance ID:DTXSID00405374
Wikidata:Q82209886
Mol file:602262-03-3.mol

Synonyms:1-tert-butyl-4-isocyanobenzene;602262-03-3;1-(tert-butyl)-4-isocyanobenzene;SCHEMBL4402383;DTXSID00405374;GS3830;AKOS006277469;EN300-1177074

Suppliers and Price of 1-Tert-butyl-4-isocyanobenzene

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

American Custom Chemicals Corporation
1-(1,1-DIMETHYLETHYL)-4-ISOCYANO-BENZENE 95.00%
5MG
$ 500.09

Total 1 raw suppliers

Chemical Property of 1-Tert-butyl-4-isocyanobenzene

Chemical Property:

PSA：0.00000
LogP:2.76560
XLogP3:3.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:159.104799419
Heavy Atom Count:12
Complexity:183

Purity/Quality:: 1-(1,1-DIMETHYLETHYL)-4-ISOCYANO-BENZENE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)C1=CC=C(C=C1)[N+]#[C-]

Technology Process of 1-Tert-butyl-4-isocyanobenzene

There total 6 articles about 1-Tert-butyl-4-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: 32.0%

: 667-27-6
Ethyl bromodifluoroacetate

: 769-92-6
4-tert-Butylaniline

: 602262-03-3
1-(tert-butyl)-4-isocyanobenzene

Guidance literature:: With sodium carbonate; In tetrahydrofuran; at 100 ℃; for 12h; Schlenk technique; Inert atmosphere;
DOI:10.1021/acs.orglett.8b01888

Reference yield:

: 63429-97-0
N-(4-(tert-butyl)phenyl)formamide

: 602262-03-3
1-(tert-butyl)-4-isocyanobenzene

Guidance literature:: With triethylamine; trichlorophosphate; In dichloromethane; at 0 - 20 ℃; for 0.416667h;
DOI:10.1002/cmdc.201500318

Reference yield:

: 769-92-6
4-tert-Butylaniline

: 602262-03-3
1-(tert-butyl)-4-isocyanobenzene

Guidance literature:: Multi-step reaction with 2 steps

1.1: acetic anhydride / 1 h / 20 °C

1.2: 0 - 20 °C

2.1: triethylamine; trichlorophosphate / dichloromethane / 0.42 h / 0 - 20 °C

With acetic anhydride; triethylamine; trichlorophosphate; In dichloromethane;
DOI:10.1002/cmdc.201500318