N-[2-(tert-butyl-carbamoyl)-phenyl]-carbamic acid tert-butyl ester

Base Information

• Chemical Name: N-[2-(tert-butyl-carbamoyl)-phenyl]-carbamic acid tert-butyl ester
• CAS No.: 144303-98-0
• Molecular Formula: C16H24N2O3
• Molecular Weight: 292.378
• DSSTox Substance ID: DTXSID20439737
• Wikidata: Q82255787
• Mol file: 144303-98-0.mol

Synonyms:144303-98-0;AGN-PC-0N48C3;DTXSID20439737;N-[2-(tert-butyl-carbamoyl)-phenyl]-carbamic acid tert-butyl ester

Chemical Property of N-[2-(tert-butyl-carbamoyl)-phenyl]-carbamic acid tert-butyl ester

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 292.17869263
• Heavy Atom Count: 21
• Complexity: 380

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)NC(=O)C1=CC=CC=C1NC(=O)OC(C)(C)C

Technology Process of N-[2-(tert-butyl-carbamoyl)-phenyl]-carbamic acid tert-butyl ester

There total 1 articles about N-[2-(tert-butyl-carbamoyl)-phenyl]-carbamic acid tert-butyl ester 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:

tert-butyl phenylcarbamate (3422-01-3) + Tert-butyl isocyanate (1609-86-5) → <2-<<(1,1-dimethylethyl)amino>carbonyl>phenyl>carbamic acid 1,1-dimethylethyl ester (144303-98-0)

Guidance literature:

With tert.-butyl lithium; Yield given. Multistep reaction; 1) diethyl ether, pentane, -10 deg C, 3 h, 2) ether, -100 deg C to room temperature;

DOI:10.1021/jo00051a030

Reference yield: 85.0%

<2-<<(1,1-dimethylethyl)amino>carbonyl>phenyl>carbamic acid 1,1-dimethylethyl ester (144303-98-0) → anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4)

Guidance literature:

With sulfuric acid; water;

DOI:10.1021/acscatal.6b01869

upstream raw materials:

tert-butyl phenylcarbamate

Tert-butyl isocyanate

Downstream raw materials:

anthranilic acid

Refernces