2-Ethylidene-3-methylpentanedinitrile

Base Information

• Chemical Name: 2-Ethylidene-3-methylpentanedinitrile
• CAS No.: 50870-55-8
• Molecular Formula: C8H10N2
• Molecular Weight: 134.181
• DSSTox Substance ID: DTXSID10705897
• Mol file: 50870-55-8.mol

Synonyms:2-Ethylidene-3-methylpentanedinitrile;50870-55-8;DTXSID10705897

Chemical Property of 2-Ethylidene-3-methylpentanedinitrile

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 134.084398327
• Heavy Atom Count: 10
• Complexity: 220

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=C(C#N)C(C)CC#N

Technology Process of 2-Ethylidene-3-methylpentanedinitrile

There total 9 articles about 2-Ethylidene-3-methylpentanedinitrile 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: 24.0%

but-3-enenitrile (109-75-1) → but-2-enenitrile (4786-20-3,627-26-9) + (E+Z)-4-cyano-3-methyl-4-hexenenitrile (50870-55-8) + Bis(1-methyl-2-cyano-ethyl)-sulfid (80262-20-0)

Guidance literature:

With sodium sulfide; benzyltri(n-butyl)ammonium chloride; In water; for 0.0833333h;

Reference yield: 14.0%

but-2-enenitrile (4786-20-3,627-26-9) + 3-methyl-1-(phenylsulfonyl)but-2-ene (15874-80-3) → (E+Z)-4-cyano-3-methyl-4-hexenenitrile (50870-55-8) + 3,6-dimethyl-4-(phenylsulphonyl)-5-heptenenitrile + 4-cyano-3,5,8-trimethyl-6-(phenylsulphonyl)-7-nonenenitrile

Guidance literature:

With sodium hydroxide; tetrabutylammomium bromide; In acetonitrile; at 10 - 15 ℃; for 3h;

Reference yield:

sodium ethanolate (141-52-6) + but-3-enenitrile (109-75-1) → (Z)-2-butenenitrile (1190-76-7,627-26-9) + crotononitrile (4786-20-3,627-26-9) + (E+Z)-4-cyano-3-methyl-4-hexenenitrile (50870-55-8)

Guidance literature:

upstream raw materials:

pyridine

acetaldehyde

cyanoacetic acid

diethyl ether

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