Ethyl(1,1-dimethylpropyl)malononitrile

Base Information

• Chemical Name: Ethyl(1,1-dimethylpropyl)malononitrile
• CAS No.: 85688-95-5
• Molecular Formula: C10H16N2
• Molecular Weight: 164.25
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID60234980
• Wikidata: Q83116832
• Mol file: 85688-95-5.mol

Synonyms:Ethyl(1,1-dimethylpropyl)malononitrile;85688-95-5;DTXSID60234980

Chemical Property of Ethyl(1,1-dimethylpropyl)malononitrile

Chemical Property:

• Vapor Pressure: 0.00929mmHg at 25°C
• Boiling Point: 265.2°Cat760mmHg
• Flash Point: 108.1°C
• PSA: 47.58000
• Density: 0.91g/cm³
• LogP: 2.86616
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 164.131348519
• Heavy Atom Count: 12
• Complexity: 230

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)(C)C(CC)(C#N)C#N

Technology Process of Ethyl(1,1-dimethylpropyl)malononitrile

There total 1 articles about Ethyl(1,1-dimethylpropyl)malononitrile 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: 62.0%

2,2-Dimethyl-1,1-butandicarbonitril (4626-36-2) + ethyl iodide (75-03-6) → Ethyl(1,1,dimethylpropyl)malonsaeuredinitril (85688-95-5)

Guidance literature:

With sodium methylate; In methanol; Heating;

Reference yield:

Ethyl(1,1,dimethylpropyl)malonsaeuredinitril (85688-95-5) → methylbutane (78-78-4) + 2-ethylmalononitrile (3696-37-5)

Guidance literature:

With 9,10-dihydroanthracene; 1,3,5-trimethyl-benzene; at 398.2 ℃; Kinetics; Thermodynamic data; thermolysis, ΔG(excit.), ΔH(excit.), ΔS(excit.);

upstream raw materials:

2,2-Dimethyl-1,1-butandicarbonitril

ethyl iodide

Downstream raw materials:

methylbutane

2-ethylmalononitrile