4-[(4-Cyanophenyl)selanyl]benzonitrile

Base Information

• Chemical Name: 4-[(4-Cyanophenyl)selanyl]benzonitrile
• CAS No.: 117995-33-2
• Molecular Formula: C14H8N2Se
• Molecular Weight: 283.191
• DSSTox Substance ID: DTXSID70569396
• Nikkaji Number: J689.512C
• Wikidata: Q82456539
• Mol file: 117995-33-2.mol

Synonyms:117995-33-2;4-[(4-cyanophenyl)selanyl]benzonitrile;4-(4-cyanophenyl)selanylbenzonitrile;4,4'-Selanyldibenzonitrile;4,4'-dicyanodiphenyl selenide;DTXSID70569396;AI-942/25034901

Chemical Property of 4-[(4-Cyanophenyl)selanyl]benzonitrile

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 283.98527
• Heavy Atom Count: 17
• Complexity: 298

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C#N)[Se]C2=CC=C(C=C2)C#N

Technology Process of 4-[(4-Cyanophenyl)selanyl]benzonitrile

There total 6 articles about 4-[(4-Cyanophenyl)selanyl]benzonitrile 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: 89.0%

4-bromobenzenecarbonitrile (623-00-7) + 1,2-bis(4-cyanophenyl) diselenide (84019-98-7) → 4,4′-selenodibenzonitrile (117995-33-2)

Guidance literature:

With potassium carbonate; In water; at 100 ℃; for 2h; Green chemistry;

DOI:10.1007/s10562-021-03908-x

Reference yield: 87.0%

4-bromobenzenecarbonitrile (623-00-7) → 4,4′-selenodibenzonitrile (117995-33-2)

Guidance literature:

With selenium; potassium carbonate; In water; dimethyl sulfoxide; at 20 ℃; for 3h;

DOI:10.1039/d0dt01327g

Reference yield: 72.0%

selenium (7782-49-2) + 4-cyanophenylboronic acid (126747-14-6) → 4,4′-selenodibenzonitrile (117995-33-2)

Guidance literature:

selenium; With sodium tetrahydroborate; In ethanol; at 20 ℃; for 1h; Inert atmosphere;

4-cyanophenylboronic acid; With 1,10-Phenanthroline; copper(ll) sulfate pentahydrate; oxygen; In ethanol; at 20 ℃; for 10h;

DOI:10.1016/j.tet.2014.01.030

upstream raw materials:

4-Cyanochlorobenzene

diphenyl diselenide

p-cyanobenzenediazonium chloride

selenium

Downstream raw materials:

λ⁴-bis(4-cyanophenyl)dichloroselane