Chrysene-1-carbonitrile

Base Information

• Chemical Name: Chrysene-1-carbonitrile
• CAS No.: 36288-23-0
• Molecular Formula: C₁₉H₁₁N
• Molecular Weight: 253.303
• DSSTox Substance ID: DTXSID80498481
• Nikkaji Number: J3.618.064A
• Wikidata: Q82348559
• Mol file: 36288-23-0.mol

Synonyms:chrysene-1-carbonitrile;1-Chrysenecarbonitrile;36288-23-0;DTXSID80498481;68723-52-4

Chemical Property of Chrysene-1-carbonitrile

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 253.089149355
• Heavy Atom Count: 20
• Complexity: 405

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC3=C2C=CC4=C(C=CC=C43)C#N

Technology Process of Chrysene-1-carbonitrile

There total 10 articles about Chrysene-1-carbonitrile 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: 75.5%

→ chrysene-3-carbonitrile (36288-23-0)

Guidance literature:

Reference yield:

3-(1-ethynylnaphthalen-2-yl)benzonitrile → 1-cyanochrysene (68723-52-4) + chrysene-3-carbonitrile (36288-23-0)

Guidance literature:

With platinum(II) chloride; In toluene; at 150 ℃; for 1h; Overall yield = 31 %; Overall yield = 28 mg; regioselective reaction; Microwave irradiation; Sealed tube;

DOI:10.1016/j.tetlet.2016.12.004

Reference yield:

1-(α-Naphthyl)-2-(4'-cyano-phenyl)-ethen (36288-28-5) → chrysene-3-carbonitrile (36288-23-0)

Guidance literature:

With iodine; In benzene; Irradiation;

DOI:10.1139/v72-081

upstream raw materials:

1-(4-bromophenyl)-2-(1-naphthyl)ethylene

copper(I) cyanide

1-(α-Naphthyl)-2-(4'-cyano-phenyl)-ethen

4-((1E,3E,5E)-6-Phenyl-hexa-1,3,5-trienyl)-benzonitrile