Benzonitrile, 4-(1-pyrenyl)-

Base Information

Chemical Name:Benzonitrile, 4-(1-pyrenyl)-
CAS No.:400822-60-8
Molecular Formula:C23H13N
Molecular Weight:303.363
Hs Code.:
DSSTox Substance ID:DTXSID80454022
Nikkaji Number:J1.632.243A
Wikidata:Q82275344
Mol file:400822-60-8.mol

Synonyms:Benzonitrile, 4-(1-pyrenyl)-;400822-60-8;4-(1-Pyrenyl)benzonitrile;SCHEMBL13170848;DTXSID80454022

Suppliers and Price of Benzonitrile, 4-(1-pyrenyl)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 0 raw suppliers

Chemical Property of Benzonitrile, 4-(1-pyrenyl)-

Chemical Property:

XLogP3:6.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:303.104799419
Heavy Atom Count:24
Complexity:507

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C5=CC=C(C=C5)C#N

Technology Process of Benzonitrile, 4-(1-pyrenyl)-

There total 2 articles about Benzonitrile, 4-(1-pyrenyl)- 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: 87.0%

: 623-00-7
4-bromobenzenecarbonitrile

: 349666-24-6
1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrene

: 400822-60-8
4'-(1-pyrenyl)benzonitrile

Guidance literature:: With sodium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In toluene; Heating;
DOI:10.1002/1099-0690(200110)2001:20<3819::AID-EJOC3819>3.0.CO;2-W

Reference yield:

: 1714-29-0
1-bromopyrene

: 400822-60-8
4'-(1-pyrenyl)benzonitrile

Guidance literature:: Multi-step reaction with 2 steps

1.1: nBuLi / tetrahydrofuran; hexane / 0.5 h / -78 °C

1.2: (iPrO)3B / tetrahydrofuran; hexane / 0.5 h / -78 - 20 °C

1.3: 85 percent / diethyl ether; hexane / 0.75 h / 40 °C

2.1: 87 percent / aq. Na₂CO₃ / Pd(PPh₃)4 / toluene / Heating

With n-butyllithium; sodium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; hexane; toluene; 2.1: Suzuki cross-coupling;
DOI:10.1002/1099-0690(200110)2001:20<3819::AID-EJOC3819>3.0.CO;2-W

Reference yield:

: 4885-02-3
Dichloromethyl methyl ether

: 400822-60-8
4'-(1-pyrenyl)benzonitrile

: 1-chloromethyl-6-(4-cyanophenyl)-pyrene

: 1-chloromethyl-8-(4-cyanophenyl)-pyrene

Guidance literature:: Dichloromethyl methyl ether; 4'-(1-pyrenyl)benzonitrile; With titanium tetrachloride; In dichloromethane; at 0 - 20 ℃;

With sodium tetrahydroborate; In tetrahydrofuran; isopropyl alcohol; at 20 ℃; for 2h;

With thionyl chloride; In dichloromethane; at 20 ℃;
DOI:10.1021/jo050302p