Phenyl 2,4,6-trimethylphenylcarbamate

Base Information

• Chemical Name: Phenyl 2,4,6-trimethylphenylcarbamate
• CAS No.: 138046-81-8
• Molecular Formula: C16H17NO2
• Molecular Weight: 255.316
• DSSTox Substance ID: DTXSID80351123
• Wikidata: Q82127286
• Mol file: 138046-81-8.mol

Synonyms:phenyl 2,4,6-trimethylphenylcarbamate;138046-81-8;SCHEMBL3954256;PHENYL N-MESITYLCARBAMATE;DTXSID80351123;UIKABEUAYKKEHR-UHFFFAOYSA-N;STK672739;AKOS002952206;phenyl (2,4,6-trimethylphenyl)carbamate;SR-01000514429;SR-01000514429-1

Chemical Property of Phenyl 2,4,6-trimethylphenylcarbamate

Chemical Property:

• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 255.125928785
• Heavy Atom Count: 19
• Complexity: 287

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)OC2=CC=CC=C2)C

Technology Process of Phenyl 2,4,6-trimethylphenylcarbamate

There total 1 articles about Phenyl 2,4,6-trimethylphenylcarbamate 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:

phenyl chloroformate (1885-14-9) + 2,4,6-trimethylaniline (88-05-1) → N-(2,4,6-trimethylphenyl)-o-phenylcarbamate (138046-81-8)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 2h; Cooling with ice;

DOI:10.1021/ml400486k

Reference yield: 83.0%

N-(2,4,6-trimethylphenyl)-o-phenylcarbamate (138046-81-8) + tri(4-tolyl)boroxine (5084-80-0) → N-(2,4,6-trimethylphenyl)-4-methylbenzamide (86489-65-8)

Guidance literature:

With [Rh(OH)(cod)]2; triethylamine; In tetrahydrofuran; at 50 ℃; chemoselective reaction;

DOI:10.1021/acscatal.9b02641

Reference yield:

N-(2,4,6-trimethylphenyl)-o-phenylcarbamate (138046-81-8) + N-cycloheptyl-[(2-fluorenyl)methyl]amine (138046-66-9) → N-cycloheptyl-N-(9H-fluoren-2-ylmethyl)-N’-(2,4,6-trimethylphenyl)urea (138046-43-2)

Guidance literature:

In chloroform-d1; toluene;

upstream raw materials:

phenyl chloroformate

2,4,6-trimethylaniline

Downstream raw materials:

N-cycloheptyl-N-(9H-fluoren-2-ylmethyl)-N’-(2,4,6-trimethylphenyl)urea

N¹-(4-bromobenzylidene)-N⁴-(2,4,6-dimethylphenyl)semicarbazone

N-(2,4,6-trimethylphenyl)semicarbazide

N-(2,4,6-trimethylphenyl)-4-methylbenzamide