4-(3-Hydroxy-3-phenylpropionyl)benzonitrile

Base Information

Chemical Name:4-(3-Hydroxy-3-phenylpropionyl)benzonitrile
CAS No.:143429-16-7
Molecular Formula:C₁₆H₁₃NO₂
Molecular Weight:251.285
Hs Code.:
DSSTox Substance ID:DTXSID701247856
Nikkaji Number:J848.922J

Synonyms:DTXSID701247856;4-(3-Hydroxy-3-phenylpropionyl)benzonitrile;4-(3-Hydroxy-1-oxo-3-phenylpropyl)benzonitrile;143429-16-7

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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-Hydroxy-3-phenylpropionyl)benzonitrile

Chemical Property:

XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:251.094628657
Heavy Atom Count:19
Complexity:343

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of 4-(3-Hydroxy-3-phenylpropionyl)benzonitrile

There total 7 articles about 4-(3-Hydroxy-3-phenylpropionyl)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: 95.0%

: 4-(3-phenyl-oxiranecarbonyl)-benzonitrile

: 143429-16-7
1-(4-cyanophenyl)-3-hydroxy-3-phenyl-1-propanone

Guidance literature:: With Hantzsch 1,4-dihydropyridine; In acetonitrile; at 20 ℃; for 1.5h; UV-irradiation;
DOI:10.1016/S0040-4039(02)02426-7

Reference yield: 58.0%

: 100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6
styrene

: 105-07-7
4-cyanobenzaldehyde

: 143429-16-7
1-(4-cyanophenyl)-3-hydroxy-3-phenyl-1-propanone

Guidance literature:: With tert.-butylhydroperoxide; bis(acetylacetonate)oxovanadium; In acetonitrile; at 20 - 80 ℃; for 1h; Inert atmosphere;
DOI:10.1039/c4ob02621g

Reference yield:

: 31083-73-5
4-(1-oxo-3-phenyl-2-propen-1-yl)benzonitrile

: 143429-16-7
1-(4-cyanophenyl)-3-hydroxy-3-phenyl-1-propanone

Guidance literature:: Multi-step reaction with 2 steps

1.1: (E)-2-((quinolin-8-ylimino)methyl)phenol; copper diacetate / diethyl ether / 1 h / 20 °C / Inert atmosphere

1.2: 15 h / 20 °C

2.1: sodium perborate / tetrahydrofuran; diethyl ether / 2 h

With sodium perborate; copper diacetate; (E)-2-((quinolin-8-ylimino)methyl)phenol; In tetrahydrofuran; diethyl ether;
DOI:10.1002/open.201800056