4-[3-([1,1'-Biphenyl]-4-yl)-3-oxopropyl]benzonitrile

Base Information

Chemical Name:4-[3-([1,1'-Biphenyl]-4-yl)-3-oxopropyl]benzonitrile
CAS No.:62584-76-3
Molecular Formula:C₂₂H₁₇NO
Molecular Weight:311.383
Hs Code.:
DSSTox Substance ID:DTXSID60491859
Wikidata:Q82336934

Synonyms:62584-76-3;4-[3-([1,1'-Biphenyl]-4-yl)-3-oxopropyl]benzonitrile;DTXSID60491859

Suppliers and Price of 4-[3-([1,1'-Biphenyl]-4-yl)-3-oxopropyl]benzonitrile

Supply Marketing:

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

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Chemical Property of 4-[3-([1,1'-Biphenyl]-4-yl)-3-oxopropyl]benzonitrile

Chemical Property:

XLogP3:4.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:311.131014166
Heavy Atom Count:24
Complexity:440

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CCC3=CC=C(C=C3)C#N

Technology Process of 4-[3-([1,1'-Biphenyl]-4-yl)-3-oxopropyl]benzonitrile

There total 4 articles about 4-[3-([1,1'-Biphenyl]-4-yl)-3-oxopropyl]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: 52.0%

: 3435-51-6
4-ethenylbenzonitrile

: 3218-36-8
4-Phenylbenzaldehyde

: 62584-76-3
4-(3-([1,1'-biphenyl-4-yl])-3-oxopropyl)benzonitrile

Guidance literature:: With potassium phosphate; 2-(2,6-dimethoxyphenyl)-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-4-ium chloride; dimethyl sulfoxide; at 40 ℃; for 16h; Inert atmosphere; Schlenk technique; Glovebox;
DOI:10.1002/anie.201209291

Reference yield:

: 92-91-1
biphenyl-4-acetaldehyde

: 62584-76-3
4-(3-([1,1'-biphenyl-4-yl])-3-oxopropyl)benzonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: aq. NaOH / ethanol; dioxane

2: Zn, AcOH

With sodium hydroxide; acetic acid; zinc; In 1,4-dioxane; ethanol;

Reference yield:

: 105-07-7
4-cyanobenzaldehyde

: 62584-76-3
4-(3-([1,1'-biphenyl-4-yl])-3-oxopropyl)benzonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: aq. NaOH / ethanol; dioxane

2: Zn, AcOH

With sodium hydroxide; acetic acid; zinc; In 1,4-dioxane; ethanol;