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

Base Information

Chemical Name:4-[3-(4-Methoxyphenyl)-3-oxopropyl]benzonitrile
CAS No.:62584-73-0
Molecular Formula:C17H15NO2
Molecular Weight:265.312
Hs Code.:
DSSTox Substance ID:DTXSID00491858
Wikidata:Q82336931

Synonyms:4-[3-(4-Methoxyphenyl)-3-oxopropyl]benzonitrile;62584-73-0;DTXSID00491858

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

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

Chemical Property:

XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:265.110278721
Heavy Atom Count:20
Complexity:354

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC1=CC=C(C=C1)C(=O)CCC2=CC=C(C=C2)C#N

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

There total 6 articles about 4-[3-(4-Methoxyphenyl)-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: 81.0%

: 51410-44-7
1-(4-methoxylphenyl)-2-propen-1-ol

: 126747-14-6
4-cyanophenylboronic acid

: 62584-73-0
4-(3-(4-methoxyphenyl)-3-oxopropyl)benzonitrile

Guidance literature:: With 2.9-dimethyl-1,10-phenanthroline; palladium diacetate; silver carbonate; In acetonitrile; at 60 ℃; for 24h; regioselective reaction;
DOI:10.1002/ejoc.201200770

Reference yield:

: 104-92-7
1-bromo-4-methoxy-benzene

: 136295-53-9
3-(p-cyanophenyl)propionaldehyde

: 62584-73-0
4-(3-(4-methoxyphenyl)-3-oxopropyl)benzonitrile

Guidance literature:: With pyrrolidine; In N,N-dimethyl-formamide; at 115 ℃; for 6h; Inert atmosphere;
DOI:10.1021/ol202144z

Reference yield:

: 623-00-7
4-bromobenzenecarbonitrile

: 62584-73-0
4-(3-(4-methoxyphenyl)-3-oxopropyl)benzonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: N-Methyldicyclohexylamine; bis(dibenzylideneacetone)-palladium(0); di‐tert‐butyl‐(1‐phenylindol‐2‐yl)phosphane / N,N-dimethyl-formamide / 1 h / 100 °C / Inert atmosphere

2: pyrrolidine / N,N-dimethyl-formamide / 6 h / 115 °C / Inert atmosphere

With pyrrolidine; N-Methyldicyclohexylamine; bis(dibenzylideneacetone)-palladium⁽⁰⁾; di‐tert‐butyl‐(1‐phenylindol‐2‐yl)phosphane; In N,N-dimethyl-formamide;
DOI:10.1021/ol202144z