Ethyl benzyl(phenyl)carbamate

Base Information

• Chemical Name: Ethyl benzyl(phenyl)carbamate
• CAS No.: 610-43-5
• Molecular Formula: C16H17NO2
• Molecular Weight: 255.316
• NSC Number: 24703,8914
• DSSTox Substance ID: DTXSID50278656
• Wikidata: Q82010698
• Mol file: 610-43-5.mol

Synonyms:ethyl benzyl(phenyl)carbamate;Benzylphenylurethan;NSC8914;SCHEMBL1925076;DTXSID50278656;NSC-8914;NSC24703;NSC-24703;AKOS009155899;benzyl-phenyl-carbamic acid ethyl ester

Chemical Property of Ethyl benzyl(phenyl)carbamate

Chemical Property:

• Vapor Pressure: 7.34E-06mmHg at 25°C
• Boiling Point: 376.3°Cat760mmHg
• Flash Point: 181.4°C
• Density: 1.136g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 255.125928785
• Heavy Atom Count: 19
• Complexity: 268

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)N(CC1=CC=CC=C1)C2=CC=CC=C2

Technology Process of Ethyl benzyl(phenyl)carbamate

There total 7 articles about Ethyl benzyl(phenyl)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: 78.0%

N-Benzylaniline (758640-21-0,103-32-2) + carbon dioxide (124-38-9,18923-20-1) + ethyl iodide (75-03-6) → N-Benzyl-N-phenyl-carbamidsaeureethylester (610-43-5)

Guidance literature:

With caesium carbonate; In dimethyl sulfoxide; chemoselective reaction;

DOI:10.1002/cssc.201600521

Reference yield: 11.0%

N,N'-diphenylbenzamidine (2556-46-9,141417-98-3) → N-Benzyl-N-phenyl-carbamidsaeureethylester (610-43-5) + ethyl N-phenyl-α-phenylglycinate (940866-95-5)

Guidance literature:

With mercury; In N,N-dimethyl-formamide; Product distribution;

Reference yield: 5.0%

benzylidene phenylamine (538-51-2) → N,N',1,2-tetraphenylethylenediamine (2879-66-5) + N-Benzyl-N-phenyl-carbamidsaeureethylester (610-43-5) + ethyl N-phenyl-α-phenylglycinate (940866-95-5)

Guidance literature:

With tetraethylammonium iodide; In N,N-dimethyl-formamide; electrochemically;

upstream raw materials:

N-carboethoxyaniline

benzyl chloride

N,N'-diphenylbenzamidine

N-Benzylaniline

Downstream raw materials:

benzyl-(4-nitro-phenyl)-carbamic acid ethyl ester

oxalic acid

Refernces

• 1、 Hess,Komenda,Pospichal. "Reductive electrochemical carboxylation in context with quantum chemical calculations". . p. 900 - 904. Retrieved 2007/10/02.
• 2、 Orlov, S. I.,Chimishkyan, A. L.,Lapin, A. S.,Grabarnik, M. S.. "EFFECT OF STRUCTURAL FACTORS ON THE KINETICS OF THE REACTION OF ALKYL CHLOROFORMATES WITH ALIPHATIC-AROMATIC AMINES". . p. 1905 - 1908. Retrieved 2007/10/02.