[Ethyl(methyl)amino]acetonitrile

Base Information

• Chemical Name: [Ethyl(methyl)amino]acetonitrile
• CAS No.: 62842-25-5
• Molecular Formula: C5H10N2
• Molecular Weight: 98.1478
• DSSTox Substance ID: DTXSID10564188
• Wikidata: Q82448798
• Mol file: 62842-25-5.mol

Synonyms:62842-25-5;[Ethyl(methyl)amino]acetonitrile;DTXSID10564188;AKOS009415900

Chemical Property of [Ethyl(methyl)amino]acetonitrile

Chemical Property:

• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 98.084398327
• Heavy Atom Count: 7
• Complexity: 79.3

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(C)CC#N

Technology Process of [Ethyl(methyl)amino]acetonitrile

There total 1 articles about [Ethyl(methyl)amino]acetonitrile 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:

toluene (108-88-3,15644-74-3,16713-13-6) + diethylaminoacetonitrile (3010-02-4) → ethane (74-84-0) + ethene (74-85-1) + N-methylideneethylamine (43729-97-1) + N-(cyanomethyl)ethylamine (24426-40-2) + (N-ethyl-N-methyl)aminoacetonitrile (62842-25-5) + dihydrocinnamonitrile (645-59-0)

Guidance literature:

at 499.3 ℃; for 0.00012h; under 8.8 Torr; Product distribution; Thermodynamic data; Rate constant; var. temp., pressure, residence time, E_a, ΔS(excit.), ΔH(reaction), mechanism;

DOI:10.1002/kin.550270203

Reference yield:

(N-ethyl-N-methyl)aminoacetonitrile (62842-25-5) → (Ethyl-methyl-amino)-trimethylsilanyl-acetonitrile (127780-71-6)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrahydrofuran / -78 °C

2: lithium diisopropylamide / tetrahydrofuran / 3 h / -78 °C

With lithium diisopropyl amide; In tetrahydrofuran;

DOI:10.1055/s-1990-26780

upstream raw materials:

toluene

diethylaminoacetonitrile

Downstream raw materials:

(Ethyl-methyl-amino)-trimethylsilanyl-acetonitrile

Refernces