2,4,6-TRIMETHYLPHENYL ISOCYANATE

Base Information

• Chemical Name: 2,4,6-TRIMETHYLPHENYL ISOCYANATE
• CAS No.: 2958-62-5
• Molecular Formula: C10H11 N O
• Molecular Weight: 161.203
• Hs Code.: 29291090
• Mol file: 2958-62-5.mol

Synonyms:Isocyanicacid, mesityl ester (6CI,7CI,8CI); 1-Isocyanato-2,4,6-trimethyl-benzene;2,4,6-Trimethylphenyl isocyanate; Mesityl isocyanate

Chemical Property of 2,4,6-TRIMETHYLPHENYL ISOCYANATE

Chemical Property:

• Vapor Pressure: 0.0288mmHg at 25°C
• Melting Point: 44-48 °C(lit.)
• Refractive Index: 1.513
• Boiling Point: 218-220°C
• Flash Point: 87.8°C
• PSA: 29.43000
• Density: 0.98g/cm³
• LogP: 2.57910
• Storage Temp.: 2-8°C
• Sensitive.: Moisture Sensitive
• Water Solubility.: It hydrolyzes in water.

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,4,6-TrimethylphenylIsocyanate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36-42-36/37/38-23/25
• Safety Statements: 26-60-45-36/37-22-20-9-4

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 2,4,6-Trimethylphenyl isocyanate is used as an organic chemical synthesis intermediate.

Technology Process of 2,4,6-TRIMETHYLPHENYL ISOCYANATE

There total 26 articles about 2,4,6-TRIMETHYLPHENYL 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: 96.0%

di-tert-butyl dicarbonate (24424-99-5) + 2,4,6-trimethylaniline (88-05-1) → mesityl isocyanate (2958-62-5)

Guidance literature:

With dmap; In acetonitrile; at 25 ℃; for 0.166667h;

Reference yield: 96.0%

1,3-bis(2,4,6-trimethylphenyl)carbodiimide (63105-14-6) + p-Toluic acid (99-94-5) → mesityl isocyanate (2958-62-5) + N-(2,4,6-trimethylphenyl)-4-methylbenzamide (86489-65-8)

Guidance literature:

In benzene; for 3h; Heating;

Reference yield: 96.0%

1,3-bis(2,4,6-trimethylphenyl)carbodiimide (63105-14-6) + benzoic acid (65-85-0,8013-63-6) → mesityl isocyanate (2958-62-5) + N-(2,4,6-trimethylphenyl)benzamide (4476-12-4)

Guidance literature:

In benzene; for 3h; Heating;

upstream raw materials:

ethyl N-mesitylcarbamate

phosgene

2,4,6-trimethylaniline

carbon monoxide

Downstream raw materials:

1-mesitylcarbamoyloxy-2-phenylcarbamoyloxy-3-piperidino-propane

N,N-diethyl-N'-mesityl-urea

N,N'-di(2,4,6-trimethylphenyl)urea

(2,4,6-trimethyl-phenyl)-carbamic acid 2-morpholin-4-yl-cyclohexyl ester

Refernces

• 1、 Palomero, Orhi Esarte,Jones, Richard A.. "1,1′-Dicarbodiimidoferrocenes: Synthesis, Characterization, and Group IV 1,1′-Bisguanidinateferrocene Complexes". supporting information. p. 2689 - 2698. Retrieved 2019/07/04.
• 2、 Basel, Yochai,Hassner, Alfred. "Di-tert-butyl dicarbonate and 4-(dimethylamino)pyridine revisited. Their reactions with amines and alcohols". . p. 6368 - 6380. Retrieved 2007/10/03.