benzyl N-ethylcarbamate

Base Information

• Chemical Name: benzyl N-ethylcarbamate
• CAS No.: 65935-09-3
• Molecular Formula: C10H13NO2
• Molecular Weight: 179.219
• European Community (EC) Number: 894-967-3
• DSSTox Substance ID: DTXSID70495661
• Nikkaji Number: J1.723.796I
• Wikidata: Q82343907
• Mol file: 65935-09-3.mol

Synonyms:benzyl N-ethylcarbamate;65935-09-3;Benzyl ethylcarbamate;Benzylethylcarbamate;ETHYLCARBAMIC ACID PHENYLMETHYL ESTER;ethyl-carbamic benzyl ester;SCHEMBL137308;Ethyl-carbamic acid benzyl ester;DTXSID70495661;AHPJFFOLNINEFK-UHFFFAOYSA-N;EN300-6499304;A902494;Z32025015

Chemical Property of benzyl N-ethylcarbamate

Chemical Property:

• PSA: 38.33000
• LogP: 2.32360
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 179.094628657
• Heavy Atom Count: 13
• Complexity: 153

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCNC(=O)OCC1=CC=CC=C1

Technology Process of benzyl N-ethylcarbamate

There total 10 articles about benzyl N-ethylcarbamate 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: 94.0%

2-(benzyloxycarbonylamino)-1-ethanethiol (68642-94-4) → benzyl N-ethylcarbamate (65935-09-3)

Guidance literature:

With di-tert-butyl peroxide; triethyl phosphite; In chloroform;

Reference yield: 92.0%

[2-(2-Benzyloxycarbonylamino-ethyldisulfanyl)-ethyl]-carbamic acid benzyl ester (26542-61-0) → benzyl N-ethylcarbamate (65935-09-3)

Guidance literature:

With di-tert-butyl peroxide; triethyl phosphite; In acetonitrile; at 20 ℃; UV-irradiation;

Reference yield: 92.0%

benzyl N-ethyl-N-(p-methoxyphenyl)carbamate (478082-32-5) → benzyl N-ethylcarbamate (65935-09-3)

Guidance literature:

With ammonium cerium(IV) nitrate; In water; acetonitrile; at -15 - -10 ℃; for 0.5h;

DOI:10.1246/bcsj.75.1819

upstream raw materials:

benzyl N-ethyl-N-(p-methoxyphenyl)carbamate

diethyl acetal

benzyl chloroformate

ethylamine

Downstream raw materials:

3-[(N-benzyloxycarbonyl-N-ethyl-amino)-methyl]-4-bromo-benzoic acid

3-[(N-benzyloxycarbonyl-N-ethyl-amino)-methyl]-4-bromo-benzoic acid ethyl ester

[2-bromo-5-(1-hydroxy-1-methyl-ethyl)-benzyl]-ethyl-carbamic acid benzyl ester

Refernces

• 1、 Dobi, Zoltán,Reddy, B. Narendraprasad,Renders, Evelien,Van Raemdonck, Laurent,Mensch, Carl,De Smet, Gilles,Chen, Chen,Bheeter, Charles,Sergeyev, Sergey,Herrebout, Wouter A.,Maes, Bert U. W.. "Carbamate Synthesis Using a Shelf-Stable and Renewable C1 Reactant". . p. 3103 - 3114. Retrieved 2019/06/24.
• 2、 -. "Substituted heteroaryl compounds and composition thereof, and applicaitons of compounds and composition". Paragraph 0798; 0799; 0800. . Retrieved 2017/07/31.