2,4-Dimethylbenzyl isocyanate

Base Information

Chemical Name:2,4-Dimethylbenzyl isocyanate
CAS No.:56651-59-3
Molecular Formula:C10H11NO
Molecular Weight:161.203
Hs Code.:
DSSTox Substance ID:DTXSID001261261

Synonyms:1-(isocyanatomethyl)-2,4-dimethylbenzene;56651-59-3;2,4-dimethylbenzyl isocyanate;DTXSID001261261;Benzene, 1-(isocyanatomethyl)-2,4-dimethyl-;EN300-220032

Suppliers and Price of 2,4-Dimethylbenzyl isocyanate

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 3 raw suppliers

Chemical Property of 2,4-Dimethylbenzyl isocyanate

Chemical Property:

XLogP3:3.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:161.084063974
Heavy Atom Count:12
Complexity:184

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 2,4-Dimethylbenzyl isocyanate

There total 5 articles about 2,4-Dimethylbenzyl isocyanate 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:

: 7093-91-6
chloromethyl isocyanate

: 108-38-3,104809-90-7
m-xylene

: 5402-60-8
2,6-dimethylbenzyl chloride

: 56651-59-3
2,4-dimethylbenzyl isocyanate

: 2,6-dimethylbenzylisocyanate

: 824-55-5
2,4-dimethyl-benzyl chloride

Guidance literature:: With iron(III) chloride; at 40 - 150 ℃; for 2h;

Reference yield:

: 6331-04-0
2,4-dimethylphenylacetic acid

: 56651-59-3
2,4-dimethylbenzyl isocyanate

Guidance literature:: Multi-step reaction with 3 steps

1: oxalyl chloride, dimethylformamide / CH₂Cl₂ / 0.42 h

2: NaN₃ / acetone; H₂O / 0.5 h / 0 - 5 °C

3: CHCl₃ / 0.5 h / Heating

With sodium azide; oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; chloroform; water; acetone;
DOI:10.1021/jm00099a003

Reference yield:

: 90705-86-5
(2,4-dimethyl-phenyl)-acetyl chloride

: 56651-59-3
2,4-dimethylbenzyl isocyanate

Guidance literature:: Multi-step reaction with 2 steps

1: NaN₃ / acetone; H₂O / 0.5 h / 0 - 5 °C

2: CHCl₃ / 0.5 h / Heating

With sodium azide; In chloroform; water; acetone;
DOI:10.1021/jm00099a003