Methyl mesitylcarbamate

Base Information

• Chemical Name: Methyl mesitylcarbamate
• CAS No.: 81517-97-7
• Molecular Formula: C11H15 N O2
• Molecular Weight: 193.246
• NSC Number: 138983
• DSSTox Substance ID: DTXSID30300782
• Nikkaji Number: J756.037K
• Wikidata: Q82044123

Synonyms:81517-97-7;methyl mesitylcarbamate;NSC138983;TimTec1_002037;SCHEMBL2089479;DTXSID30300782;HMS1539M13;STK418275;AKOS003291006;NSC-138983;methyl (2,4,6-trimethylphenyl)carbamate;BRD-K20768304-001-01-4

Chemical Property of Methyl mesitylcarbamate

Chemical Property:

• Vapor Pressure: 0.0475mmHg at 25°C
• Boiling Point: 236.4°Cat760mmHg
• Flash Point: 96.8°C
• Density: 1.087g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 193.110278721
• Heavy Atom Count: 14
• Complexity: 194

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)C)NC(=O)OC)C

Technology Process of Methyl mesitylcarbamate

There total 5 articles about Methyl mesitylcarbamate 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: 99.0%

methanol (67-56-1) + di-tert-butyl dicarbonate (24424-99-5) + 2,4,6-trimethylaniline (88-05-1) → methyl N-(2,4,6-trimethylphenyl)carbamate (81517-97-7)

Guidance literature:

With dmap; In acetonitrile; at 82 ℃; for 15h;

DOI:10.1016/0040-4039(96)01248-8

Reference yield: 36.0%

methanol (67-56-1) + 2,4,6-trimethylbenzaldehyde oxime (40188-34-9) → methyl N-(2,4,6-trimethylphenyl)carbamate (81517-97-7)

Guidance literature:

With urea hydrogen peroxide; methyltrioxorhenium(VII); at 20 ℃;

DOI:10.1055/s-2004-829088

Reference yield:

(2,4,6-Trimethyl-phenyl)-carbamic acid methyl ester; compound with 2,4-diisocyanato-1-methyl-benzene → methyl N-(2,4,6-trimethylphenyl)carbamate (81517-97-7) + 2,4-Toluene diisocyanate (584-84-9,6144-18-9,26006-20-2)

Guidance literature:

In diethylene glycol dimethyl ether; at 24.9 ℃; Equilibrium constant;

upstream raw materials:

methanol

di-tert-butyl dicarbonate

2,4,6-trimethylaniline

2,4,6-trimethylbenzaldehyde oxime

Downstream raw materials:

methanol

mesityl isocyanate

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