Benzyl N-[(diethylcarbamoyl)methyl]carbamate

Base Information

• Chemical Name: Benzyl N-[(diethylcarbamoyl)methyl]carbamate
• CAS No.: 79990-06-0
• Molecular Formula: C14H20N2O3
• Molecular Weight: 264.324
• NSC Number: 125635
• DSSTox Substance ID: DTXSID501000890
• Nikkaji Number: J2.375.753B
• Wikidata: Q82994660
• ChEMBL ID: CHEMBL78147

Synonyms:BENZYL N-[(DIETHYLCARBAMOYL)METHYL]CARBAMATE;79990-06-0;benzyl N-[2-(diethylamino)-2-oxoethyl]carbamate;NSC125635;CHEMBL78147;DTXSID501000890;AKOS008853607;NSC-125635;CS-0213299;Diethylcarbamoylmethyl-carbamic acid benzyl ester;BENZYLN-[(DIETHYLCARBAMOYL)METHYL]CARBAMATE;Benzyl hydrogen [2-(diethylamino)-2-oxoethyl]carbonimidate

Chemical Property of Benzyl N-[(diethylcarbamoyl)methyl]carbamate

Chemical Property:

• Vapor Pressure: 1.5E-07mmHg at 25°C
• Boiling Point: 428.5°Cat760mmHg
• Flash Point: 213°C
• Density: 1.11g/cm³
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 264.14739250
• Heavy Atom Count: 19
• Complexity: 284

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzyl N-[(diethylcarbamoyl)methyl]carbamate

There total 5 articles about Benzyl N-[(diethylcarbamoyl)methyl]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%

N-(Benzyloxycarbonyl)glycine (1138-80-3) + diethylamine (109-89-7) → ZGlyNEt2 (79990-06-0)

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;

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

DOI:10.1021/jm030584q

Reference yield: 13.6%

Benzyloxycarbonylamino-acetic acid 4-nitro-8-sulfo-naphthalen-1-yl ester; compound with triethyl-amine + ethylamine (75-04-7,85404-22-4) + diethylamine (109-89-7) → benzyl N-[2-(ethylamino)-2-oxoethyl]carbamate (21855-73-2) + ZGlyNEt2 (79990-06-0)

Guidance literature:

In tetrahydrofuran; Product distribution; Et₂NH : EtNH₂ = 1 : 1;

DOI:10.1021/jo00196a006

Reference yield:

perfluorophenyl 2-(((benzyloxy)carbonyl)amino)acetate (16748-79-1) + diethylamine (109-89-7) → ZGlyNEt2 (79990-06-0)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20 ℃; for 36h;

DOI:10.1039/b719342d

upstream raw materials:

ethylamine

diethylamine

N-(Benzyloxycarbonyl)glycine

ZGly, triethylammonium salt

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