Benzyl (2-(ethylamino)-2-oxoethyl)carbamate

Base Information

• Chemical Name: Benzyl (2-(ethylamino)-2-oxoethyl)carbamate
• CAS No.: 21855-73-2
• Molecular Formula: C12H16N2O3
• Molecular Weight: 236.271
• Hs Code.: 2924299090
• ChEMBL ID: CHEMBL77713
• DSSTox Substance ID: DTXSID30404517
• Nikkaji Number: J2.375.752D
• Wikidata: Q82208762
• Mol file: 21855-73-2.mol

Synonyms:21855-73-2;Benzyl (2-(ethylamino)-2-oxoethyl)carbamate;N-(Benzyloxycarbonyl)glycine-N-ethylamide;benzyl N-[2-(ethylamino)-2-oxoethyl]carbamate;Benzyl [2-(ethylamino)-2-oxoethyl]carbamate;BENZYL N-[(ETHYLCARBAMOYL)METHYL]CARBAMATE;CHEMBL77713;SCHEMBL8264787;DTXSID30404517;WAA85573;MFCD00820060;AKOS001723553;BS-24942;Benzyl(2-(ethylamino)-2-oxoethyl)carbamate;Ethylcarbamoylmethyl-carbamic acid benzyl ester;SR-01000512377;SR-01000512377-1

Chemical Property of Benzyl (2-(ethylamino)-2-oxoethyl)carbamate

Chemical Property:

• PSA: 74.41000
• LogP: 2.09360
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 236.11609238
• Heavy Atom Count: 17
• Complexity: 250

Purity/Quality:

Benzyl(2-(ethylamino)-2-oxoethyl)carbamate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzyl (2-(ethylamino)-2-oxoethyl)carbamate

There total 7 articles about Benzyl (2-(ethylamino)-2-oxoethyl)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: 90.0%

ethylamine (75-04-7,85404-22-4) + N-(Benzyloxycarbonyl)glycine (1138-80-3) → benzyl N-[2-(ethylamino)-2-oxoethyl]carbamate (21855-73-2)

Guidance literature:

N-(Benzyloxycarbonyl)glycine; With 4-methyl-morpholine; In tetrahydrofuran; at -78 ℃; for 0.0333333h;

With isobutyl chloroformate; In tetrahydrofuran; at -78 ℃; for 0.0333333h;

ethylamine; In tetrahydrofuran; at -78 - 20 ℃; for 1.25h;

DOI:10.1021/jm030584q

Reference yield: 73.0%

N-benzyloxycarbonylglycine cyanomethylester (2899-56-1) + ethylamine (75-04-7,85404-22-4) → benzyl N-[2-(ethylamino)-2-oxoethyl]carbamate (21855-73-2)

Guidance literature:

In water; ethyl acetate; for 24h; Ambient temperature;

DOI:10.1002/hlca.19820650106

Reference yield: 61.0%

ethanamine hydrochloride (557-66-4) + N-(Benzyloxycarbonyl)glycine (1138-80-3) → benzyl N-[2-(ethylamino)-2-oxoethyl]carbamate (21855-73-2)

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In tetrahydrofuran; at 20 ℃; for 13h;

DOI:10.1016/S0968-0896(01)00201-2

upstream raw materials:

N-benzyloxycarbonylglycine cyanomethylester

ethylamine

diethylamine

ethanamine hydrochloride

Downstream raw materials:

glycine ethylamide hydrochloride

2-amino-N-ethyl-acetamide