2,3-Bis(4-bromophenyl)-2-butenedinitrile

Base Information

• Chemical Name: 2,3-Bis(4-bromophenyl)-2-butenedinitrile
• CAS No.: 315203-26-0
• Molecular Formula: C16H8Br2N2
• Molecular Weight: 388.061
• European Community (EC) Number: 679-568-2
• Nikkaji Number: J3.063.689I
• Wikidata: Q76422938
• Mol file: 315203-26-0.mol

Synonyms:2,3-Bis(4-bromophenyl)-2-butenedinitrile;82193-93-9;2,3-bis(4-bromophenyl)fumaronitrile;2-Butenedinitrile, 2,3-bis(4-bromophenyl)-, (2E)-;315203-26-0;(E)-2,3-bis(4-bromophenyl)but-2-enedinitrile;BIS(4-BROMOPHENYL)FUMARONITRILE;SCHEMBL6336519;SCHEMBL16208890;AKOS015918414;AS-76360;CS-0110701;T70757

Chemical Property of 2,3-Bis(4-bromophenyl)-2-butenedinitrile

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 216.0 to 220.0 °C
• Boiling Point: 465.812°C at 760 mmHg
• Flash Point: 235.515°C
• PSA: 47.58000
• Density: 1.676g/cm³
• LogP: 5.16956
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 387.90337
• Heavy Atom Count: 20
• Complexity: 419

Purity/Quality:

≥99% ^*data from raw suppliers

2,3-Bis(4-bromophenyl)-2-butenedinitrile >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=C(C#N)C2=CC=C(C=C2)Br)C#N)Br
• Isomeric SMILES: C1=CC(=CC=C1/C(=C(\C#N)/C2=CC=C(C=C2)Br)/C#N)Br

Technology Process of 2,3-Bis(4-bromophenyl)-2-butenedinitrile

There total 2 articles about 2,3-Bis(4-bromophenyl)-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: 90.0%

4-Bromophenylacetonitrile (16532-79-9) → 2,3-bis(4-bromophenyl)fumaronitrile (315203-26-0)

Guidance literature:

With iodine; sodium; In methanol; diethyl ether; Inert atmosphere; Cooling;

DOI:10.1080/15421406.2010.495910

Reference yield:

4-bromobenzenecarbonitrile (623-00-7) → 2,3-bis(4-bromophenyl)fumaronitrile (315203-26-0)

Guidance literature:

With iodine; sodium methylate; In diethyl ether;

DOI:10.1016/j.molstruc.2017.06.048

Reference yield: 83.0%

2,3-bis(4-bromophenyl)fumaronitrile (315203-26-0) + bis(pinacol)diborane (73183-34-3) → 2,3-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fumaronitrile (1116122-64-5)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate; In 1,4-dioxane; at 100 ℃; Inert atmosphere;

upstream raw materials:

4-Bromophenylacetonitrile

4-bromobenzenecarbonitrile

Downstream raw materials:

2,3-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fumaronitrile

3,4-bis(4-bromophenyl)-1-methyl-1H-pyrrole-2,5-dione