Benzonitrile, 4-(2-phenyl-1-cyclobuten-1-yl)-

Base Information

Chemical Name:Benzonitrile, 4-(2-phenyl-1-cyclobuten-1-yl)-
CAS No.:647028-07-7
Molecular Formula:C17H13N
Molecular Weight:231.29200
Hs Code.:
DSSTox Substance ID:DTXSID50478119

Synonyms:Benzonitrile, 4-(2-phenyl-1-cyclobuten-1-yl)-;647028-07-7;DTXSID50478119

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

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Chemical Property of Benzonitrile, 4-(2-phenyl-1-cyclobuten-1-yl)-

Chemical Property:

PSA：23.79000
LogP:4.26288
XLogP3:3.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:231.104799419
Heavy Atom Count:18
Complexity:370

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CC(=C1C2=CC=CC=C2)C3=CC=C(C=C3)C#N

Technology Process of Benzonitrile, 4-(2-phenyl-1-cyclobuten-1-yl)-

There total 2 articles about Benzonitrile, 4-(2-phenyl-1-cyclobuten-1-yl)- 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: 69.0%

: 121443-43-4
p-cyanophenyllithium

: 647028-03-3
1-phenylsulfonyl-2-phenyl-1-cyclobutene

: 647028-07-7
p-(2-phenyl-1-cyclobuten-1-yl)benzonitrile

Guidance literature:: In tetrahydrofuran; at -78 ℃; for 1h;
DOI:10.1002/chem.200304902

Reference yield:

: 100-59-4
phenylmagnesium chloride

: 647028-07-7
p-(2-phenyl-1-cyclobuten-1-yl)benzonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 95 percent / tetrahydrofuran / 0.5 h / 0 °C

2: 69 percent / tetrahydrofuran / 1 h / -78 °C

In tetrahydrofuran;
DOI:10.1002/chem.200304902

Reference yield: 71.0%

: 647028-07-7
p-(2-phenyl-1-cyclobuten-1-yl)benzonitrile

: anti-1-[4-(aminomethyl)phenyl]-4-phenyl-1,4-butanediol

: syn-1-[4-(aminomethyl)phenyl]-4-phenyl-1,4-butanediol

Guidance literature:: p-(2-phenyl-1-cyclobuten-1-yl)benzonitrile; With borane-THF; In tetrahydrofuran; at 0 - 50 ℃; for 5.5h;

With sodium hydroxide; dihydrogen peroxide; In tetrahydrofuran; at 0 ℃;
DOI:10.1002/chem.200304902