(4E)-2-amino-6-ethyl-4-ethylidene-6-methylcyclohex-2-ene-1,1,3-tricarbonitrile

Base Information

• Chemical Name: (4E)-2-amino-6-ethyl-4-ethylidene-6-methylcyclohex-2-ene-1,1,3-tricarbonitrile
• CAS No.: 65050-52-4
• Molecular Formula: C14H16N4
• Molecular Weight: 240.3036
• NSC Number: 98404

Synonyms:NSC98404;HMS1534M02;NSC-98404;STK831929;AKOS000621567;AKOS024273679;(4E)-2-amino-6-ethyl-4-ethylidene-6-methylcyclohex-2-ene-1,1,3-tricarbonitrile;NCGC00175300-01;65050-52-4;BRD-A15414351-001-01-6;5105-93-1

Chemical Property of (4E)-2-amino-6-ethyl-4-ethylidene-6-methylcyclohex-2-ene-1,1,3-tricarbonitrile

Chemical Property:

• Vapor Pressure: 5.4E-11mmHg at 25°C
• Boiling Point: 522°Cat760mmHg
• Flash Point: 269.5°C
• Density: 1.12g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 240.137496527
• Heavy Atom Count: 18
• Complexity: 565

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1(CC(=CC)C(=C(C1(C#N)C#N)N)C#N)C
• Isomeric SMILES: CCC1(C/C(=C\C)/C(=C(C1(C#N)C#N)N)C#N)C

Technology Process of (4E)-2-amino-6-ethyl-4-ethylidene-6-methylcyclohex-2-ene-1,1,3-tricarbonitrile

There total 1 articles about (4E)-2-amino-6-ethyl-4-ethylidene-6-methylcyclohex-2-ene-1,1,3-tricarbonitrile 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: 71.0%

1,1-dicyano-2-methyl-1-butene (13017-50-0) → 2-Amino-6-ethyl-4-eth-(E)-ylidene-6-methyl-cyclohex-2-ene-1,1,3-tricarbonitrile (65050-52-4)

Guidance literature:

With sodium ethanolate; In ethanol; for 1h;

DOI:10.1055/s-1980-28998

Reference yield: 96.0%

2-Amino-6-ethyl-4-eth-(E)-ylidene-6-methyl-cyclohex-2-ene-1,1,3-tricarbonitrile (65050-52-4) → 4,6-Diethyl-6-methyl-2-oxo-cyclohex-3-ene-1,1,3-tricarbonitrile (74528-84-0)

Guidance literature:

With hydrogenchloride; at 80 ℃; for 2h;

DOI:10.1055/s-1980-28998

Reference yield: 77.0%

2-Amino-6-ethyl-4-eth-(E)-ylidene-6-methyl-cyclohex-2-ene-1,1,3-tricarbonitrile (65050-52-4) → 2-Amino-4-(1-bromo-ethyl)-6-ethyl-6-methyl-cyclohexa-2,4-diene-1,1,3-tricarbonitrile

Guidance literature:

With N-Bromosuccinimide; In tetrachloromethane; for 3h;

upstream raw materials:

1,1-dicyano-2-methyl-1-butene

Downstream raw materials:

4,6-Diethyl-6-methyl-2-oxo-cyclohex-3-ene-1,1,3-tricarbonitrile

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