(4-Aminophenyl)ethene-1,1,2-tricarbonitrile

Base Information

• Chemical Name: (4-Aminophenyl)ethene-1,1,2-tricarbonitrile
• CAS No.: 17082-33-6
• Molecular Formula: C11H6N4
• Molecular Weight: 194.195
• DSSTox Substance ID: DTXSID50557332
• Nikkaji Number: J1.066.667H
• Mol file: 17082-33-6.mol

Synonyms:17082-33-6;2-(4-aminophenyl)ethene-1,1,2-tricarbonitrile;(4-Aminophenyl)ethene-1,1,2-tricarbonitrile;4-tricyanovinyl aniline;SCHEMBL3792615;DTXSID50557332

Chemical Property of (4-Aminophenyl)ethene-1,1,2-tricarbonitrile

Chemical Property:

• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 194.059246208
• Heavy Atom Count: 15
• Complexity: 393

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=C(C#N)C#N)C#N)N

Technology Process of (4-Aminophenyl)ethene-1,1,2-tricarbonitrile

There total 3 articles about (4-Aminophenyl)ethene-1,1,2-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: 1.0%

aniline (62-53-3) + 4-chloro-5-cyano-1,2,3-dithiazolium chloride → (4-aminophenyl)ethenetricarbonitrile (17082-33-6) + 2-phenyliminopropanedinitrile (19769-98-3) + 1-cyano-N,N-diphenylformamidine (6343-76-6) + 2-cyano-2-(phenylimino)thioacetamide

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at -78 - 20 ℃; Further byproducts given;

Reference yield:

2-(4-aminobenzylidene)malononitrile (17082-32-5) + sodium cyanide (143-33-9,25596-52-5) → (4-aminophenyl)ethenetricarbonitrile (17082-33-6)

Guidance literature:

With lead(IV) acetate; acetic acid; N,N-dimethyl-formamide;

DOI:10.1021/ja01544a056

Reference yield:

→ (4-aminophenyl)ethenetricarbonitrile (17082-33-6)

Guidance literature:

Anilin, Tetracyanethylen; neben /BRN= 724547/;

upstream raw materials:

2-(4-aminobenzylidene)malononitrile

sodium cyanide

aniline

Downstream raw materials:

(4-palmitoylamino-phenyl)-ethenetricarbonitrile

4-(tricyanovinyl)benzenediazonium triflate