Ethenetricarbonitrile, [4-(phenylamino)phenyl]-

Base Information

• Chemical Name: Ethenetricarbonitrile, [4-(phenylamino)phenyl]-
• CAS No.: 59223-17-5
• Molecular Formula: C17H10N4
• Molecular Weight: 270.293
• DSSTox Substance ID: DTXSID80354356
• ChEMBL ID: CHEMBL1328712

Synonyms:Ethenetricarbonitrile, [4-(phenylamino)phenyl]-;2-Cyano-3-(4-phenylamino-phenyl)-but-2-enedinitrile;59223-17-5;Enamine_000796;MLS001210321;CHEMBL1328712;SCHEMBL17140380;DTXSID80354356;HMS1396E04;HMS2819M03;AKOS000661155;SMR000516505;Z56780163

Chemical Property of Ethenetricarbonitrile, [4-(phenylamino)phenyl]-

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 270.090546336
• Heavy Atom Count: 21
• Complexity: 515

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC2=CC=C(C=C2)C(=C(C#N)C#N)C#N

Technology Process of Ethenetricarbonitrile, [4-(phenylamino)phenyl]-

There total 2 articles about Ethenetricarbonitrile, [4-(phenylamino)phenyl]- 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: 82.0%

ethenetetracarbonitrile (670-54-2) + diphenylamine (122-39-4) → N-phenyl-N-[4-(tricyanoethenyl)phenyl]amine (59223-17-5)

Guidance literature:

With choline chloride; urea; at 35 ℃; for 0.0833333h; Reagent/catalyst; Time; Solvent; Green chemistry;

DOI:10.1016/j.catcom.2014.01.031

Reference yield:

→ N-phenyl-N-[4-(tricyanoethenyl)phenyl]amine (59223-17-5)

Guidance literature:

/BRN= 3032801/;

DOI:10.1021/ja01544a056

Reference yield: 25.0%

1,4-bis(bromomethyl)benzene (623-24-5) + N-phenyl-N-[4-(tricyanoethenyl)phenyl]amine (59223-17-5) → α,α'-bis{N-phenyl-N-[4-(tricyanoethenyl)phenylamino]}p-xylene

Guidance literature:

With sodium carbonate; In N,N-dimethyl-formamide; at 30 ℃; for 45h; Inert atmosphere; Cooling with ice;

upstream raw materials:

ethenetetracarbonitrile

diphenylamine

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