3-[3-(4-Chlorophenyl)-3-oxopropyl]benzonitrile

Base Information

Chemical Name:3-[3-(4-Chlorophenyl)-3-oxopropyl]benzonitrile
CAS No.:62584-68-3
Molecular Formula:C₁₆H₁₂ClNO
Molecular Weight:269.73
Hs Code.:
DSSTox Substance ID:DTXSID00491853
Wikidata:Q82336919

Synonyms:3-[3-(4-Chlorophenyl)-3-oxopropyl]benzonitrile;62584-68-3;DTXSID00491853

Suppliers and Price of 3-[3-(4-Chlorophenyl)-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 3-[3-(4-Chlorophenyl)-3-oxopropyl]benzonitrile

Chemical Property:

PSA：40.86000
LogP:4.02718
XLogP3:3.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:269.0607417
Heavy Atom Count:19
Complexity:351

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC(=C1)C#N)CCC(=O)C2=CC=C(C=C2)Cl

Technology Process of 3-[3-(4-Chlorophenyl)-3-oxopropyl]benzonitrile

There total 4 articles about 3-[3-(4-Chlorophenyl)-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: 16.0%

: 5338-96-5
3-cyanostyrene

: 104-88-1
4-chlorobenzaldehyde

: 3-(1-(4-chlorophenyl)-1-oxopropan-2-yl)benzonitrile

: 62584-68-3
3-(3-(4-chlorophenyl)-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:

: 62584-55-8
3-[(E)-3-(4-Chloro-phenyl)-3-oxo-propenyl]-benzonitrile

: 62584-68-3
3-(3-(4-chlorophenyl)-3-oxopropyl)benzonitrile

Guidance literature:: With acetic acid; zinc; In acetone;

Reference yield:

: 24964-64-5
3-Cyanobenzaldehyde

: 62584-68-3
3-(3-(4-chlorophenyl)-3-oxopropyl)benzonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: aq. NaOH / ethanol; dioxane

2: Zn, AcOH / acetone

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