2-[(2-Cyanoethyl)phenylamino]ethyl ethylcarbamate

Base Information

• Chemical Name: 2-[(2-Cyanoethyl)phenylamino]ethyl ethylcarbamate
• CAS No.: 63216-95-5
• Molecular Formula: C14H19 N3 O2
• Molecular Weight: 261.324
• Hs Code.: 2926909090
• European Community (EC) Number: 264-009-3
• UNII: 8ZG3P65TP8
• DSSTox Substance ID: DTXSID8069775
• Nikkaji Number: J327.022J
• Wikidata: Q81996805
• Mol file: 63216-95-5.mol

Synonyms:63216-95-5;2-[(2-CYANOETHYL)PHENYLAMINO]ETHYL ETHYLCARBAMATE;EINECS 264-009-3;Carbamic acid, ethyl-, 2-((2-cyanoethyl)phenylamino)ethyl ester;2-((2-Cyanoethyl)phenylamino)ethyl ethylcarbamate;Carbamic acid, N-ethyl-, 2-((2-cyanoethyl)phenylamino)ethyl ester;Carbamic acid, ethyl-, 2-[(2-cyanoethyl)phenylamino]ethyl ester;Carbamic acid, N-ethyl-, 2-[(2-cyanoethyl)phenylamino]ethyl ester;8ZG3P65TP8;DTXSID8069775;SCHEMBL11521086;2-[(2-Cyanoethyl)phenylamino]ethyl N-ethylcarbamate;N-(2-cyanoethyl)-N-[2-(N-ethylcarbamoyloxy)ethyl]aniline;N-Ethylcarbamic acid 2-[(2-cyanoethyl)phenylamino]ethyl ester

Chemical Property of 2-[(2-Cyanoethyl)phenylamino]ethyl ethylcarbamate

Chemical Property:

• Vapor Pressure: 1.51E-08mmHg at 25°C
• Boiling Point: 457.3°C at 760 mmHg
• Flash Point: 230.4°C
• PSA: 68.85000
• Density: 1.125g/cm³
• LogP: 2.35718
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 261.147726857
• Heavy Atom Count: 19
• Complexity: 305

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCNC(=O)OCCN(CCC#N)C1=CC=CC=C1

Technology Process of 2-[(2-Cyanoethyl)phenylamino]ethyl ethylcarbamate

There total 2 articles about 2-[(2-Cyanoethyl)phenylamino]ethyl 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:

ethyl bromide (74-96-4) + sulfolane (tetrahydrothiophene-1,1-dioxide) + 3-[(2-hydroxyethyl)(phenyl)amino]propanenitrile (92-64-8) → 2-[(2-cyanoethyl)phenylamino]ethyl ethylcarbamate (63216-95-5)

Guidance literature:

In sulfolane; water; acetone; benzene;

Reference yield:

→ 2-[(2-cyanoethyl)phenylamino]ethyl ethylcarbamate (63216-95-5)

Guidance literature:

KOCN 1)EtBr 2)Verb./BRN= 369849/;

upstream raw materials:

ethyl bromide

3-[(2-hydroxyethyl)(phenyl)amino]propanenitrile