Benzyl N-(3-acetylphenyl)carbamate

Base Information

• Chemical Name: Benzyl N-(3-acetylphenyl)carbamate
• CAS No.: 42865-67-8
• Molecular Formula: C16H15NO3
• Molecular Weight: 269.3
• DSSTox Substance ID: DTXSID20406863
• Nikkaji Number: J1.511.844J
• Wikidata: Q82211984
• Mol file: 42865-67-8.mol

Synonyms:42865-67-8;Benzyl N-(3-acetylphenyl)carbamate;Carbamic acid, (3-acetylphenyl)-, phenylmethyl ester;SCHEMBL4057992;DTXSID20406863;ZLDBXQSFYHBJNF-UHFFFAOYSA-N;AKOS003446142;3-acetylphenyl carbamic acid benzyl ester;EN300-7131543

Chemical Property of Benzyl N-(3-acetylphenyl)carbamate

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 269.10519334
• Heavy Atom Count: 20
• Complexity: 337

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC(=CC=C1)NC(=O)OCC2=CC=CC=C2

Technology Process of Benzyl N-(3-acetylphenyl)carbamate

There total 3 articles about Benzyl N-(3-acetylphenyl)carbamate 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: 81.0%

carbon dioxide (124-38-9,18923-20-1) + 1-(3-aminophenyl)ethanone (99-03-6) + benzyl chloride (100-44-7) → 3-acetylphenylcarbamic acid benzyl ester (42865-67-8)

Guidance literature:

carbon dioxide; 1-(3-aminophenyl)ethanone; With tetra-(n-butyl)ammonium iodide; caesium carbonate; In N,N-dimethyl-formamide; at 23 ℃; for 1h;

benzyl chloride; In N,N-dimethyl-formamide; at 23 ℃; for 120h;

DOI:10.1016/S0040-4020(02)00286-7

Reference yield:

1-(3-aminophenyl)ethanone (99-03-6) + benzyl chloroformate (501-53-1,94274-21-2) → 3-acetylphenylcarbamic acid benzyl ester (42865-67-8)

Guidance literature:

With sodium hydrogencarbonate; In water; acetone; at 20 ℃;

DOI:10.1021/jm060666p

Reference yield:

→ 3-acetylphenylcarbamic acid benzyl ester (42865-67-8)

Guidance literature:

3-Amino-acetophenon, Benzyl-chlorformiat;

upstream raw materials:

carbon dioxide

1-(3-aminophenyl)ethanone

benzyl chloride

benzyl chloroformate

Downstream raw materials:

[3-(10,10,15,15,20,20-hexaethyl-5-methyl-porphyrinogen-5-yl)-phenyl]-carbamic acid benzyl ester

(S)-3-(3-acetylphenyl)-5-(hydroxymethyl)oxazolidin-2-one

3-<3'-(N-carbobenzoxyamino)phenyl>-5H-indeno<1,2-c>pyridazin-5-one

2-amino-5-(3-benzyloxycarbonylaminophenyl)imidazole-1-carboxylic acid tert-butyl ester