2,3-Diphenyl-2-butenedinitrile

Base Information

• Chemical Name: 2,3-Diphenyl-2-butenedinitrile
• CAS No.: 2450-55-7
• Molecular Formula: C16H10 N2
• Molecular Weight: 230.269
• NSC Number: 405877,114543
• UNII: BSA5K8H977
• DSSTox Substance ID: DTXSID10883846
• Nikkaji Number: J405.700G,J3.553.885B
• Wikidata: Q82862643
• Mol file: 2450-55-7.mol

Synonyms:2,3-Diphenyl-2-butenedinitrile;2450-55-7;(E)-2,3-diphenylbut-2-enedinitrile;Diphenylfumarodinitrile;4591-16-6;Fumaronitrile, diphenyl-;trans-Diphenyldicyanoethylene;BSA5K8H977;2-Butenedinitrile, 2,3-diphenyl-, (2E)-;NSC114543;NSC 114543;UNII-BSA5K8H977;trans-alpha,beta-Dicyanostilbene;(E)-alpha,alpha'-Dicyanostilbene;NSC 405877;NSC-114543;(E)-alpha,alpha'-Stilbenedicarbonitrile;2-Butenedinitrile, 2,3-diphenyl-, (E)-;trans-.alpha.,.beta.-Dicyanostilbene;(E)-.alpha.,.alpha.'-Dicyanostilbene;diphenylfumaronitril;Diphenylfumaronitrile;(E)-.alpha.,.alpha.'-Stilbenedicarbonitrile;(E)-2,3-diphenyl-but-2-enedinitrile;alpha,beta-dicyanostilbene;SCHEMBL79975;(E)-alpha,beta-Dicyanostilbene;SCHEMBL1898420;DTXSID10883846;1,2-Dicyano-1,2-diphenylethylene;2-Butenedinitrile, 2,3-diphenyl-;MFCD00137176;NSC405877;(E)-2,3-diphenyl-2-butenedinitrile;2-Butenedinitrile,3-diphenyl-, (E)-;NSC-405877;J3.553.885B;A827676;AF-960/00456056

Chemical Property of 2,3-Diphenyl-2-butenedinitrile

Chemical Property:

• Vapor Pressure: 1.18E-05mmHg at 25°C
• Boiling Point: 369.5°Cat760mmHg
• Flash Point: 170.3°C
• PSA: 47.58000
• Density: 1.156g/cm³
• LogP: 3.64456
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 230.084398327
• Heavy Atom Count: 18
• Complexity: 363

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=C(C#N)C2=CC=CC=C2)C#N
• Isomeric SMILES: C1=CC=C(C=C1)/C(=C(\C#N)/C2=CC=CC=C2)/C#N

Technology Process of 2,3-Diphenyl-2-butenedinitrile

There total 28 articles about 2,3-Diphenyl-2-butenedinitrile 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: 95.0%

phenylacetonitrile (140-29-4) → diphenyl fumarodinitrile (2450-55-7)

Guidance literature:

With aluminum oxide; potassium fluoride; iodine; In acetonitrile; for 16h; Ambient temperature; Irradiation;

DOI:10.1080/00397919208021130

Reference yield: 81.0%

(E)-1,2-dibromo-1,2-diphenylethene (20432-10-4) + copper(I) cyanide (544-92-3) → diphenyl fumarodinitrile (2450-55-7)

Guidance literature:

In N,N-dimethyl-formamide; at 130 ℃; for 4h;

DOI:10.1055/s-1991-26544

Reference yield: 76.0%

phosphoric acid (phenyl)(cyano)methyl ester diethyl ester (20435-05-6) → diphenyl fumarodinitrile (2450-55-7)

Guidance literature:

With n-butyllithium; N,N,N,N,-tetramethylethylenediamine; In tetrahydrofuran; hexane; at -78 ℃;

upstream raw materials:

bromo-phenyl-acetonitrile

meso-1,2-dicyano-1,2-diphenylethane

phenylacetonitrile

diphenylmaleonitrile

Downstream raw materials:

1-oxo-2-phenyl-1H-indene-3-carbonitrile

1-oxo-2-phenyl-indene-3-carboxylic acid amide

2,3-diphenylsuccinonitrile

diphenylmaleonitrile