2,4-Diphenyl-3-oxobutyronitrile

Base Information

Chemical Name:2,4-Diphenyl-3-oxobutyronitrile
CAS No.:25369-03-3
Molecular Formula:C₁₆H₁₃NO
Molecular Weight:235.285
Hs Code.:
European Community (EC) Number:620-650-4
Nikkaji Number:J2.882.876D
Mol file:25369-03-3.mol

Synonyms:3-oxo-2,4-diphenylbutanenitrile;2,4-DIPHENYL-3-OXOBUTYRONITRILE;25369-03-3;SCHEMBL10897824;AKOS022506787

Suppliers and Price of 2,4-Diphenyl-3-oxobutyronitrile

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 5 raw suppliers

Chemical Property of 2,4-Diphenyl-3-oxobutyronitrile

Chemical Property:

XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:235.099714038
Heavy Atom Count:18
Complexity:315

Purity/Quality:: 98%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 2,4-Diphenyl-3-oxobutyronitrile

There total 6 articles about 2,4-Diphenyl-3-oxobutyronitrile 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: 96.0%

: 140-29-4
phenylacetonitrile

: 101-41-7
benzeneacetic acid methyl ester

: 25369-03-3
2,4-diphenyl-3-oxobutanenitrile

Guidance literature:: With sodium ethanolate; In ethanol; Reflux;
DOI:10.1016/j.bioorg.2018.11.029

Reference yield:

: 140-29-4
phenylacetonitrile

: 25369-03-3
2,4-diphenyl-3-oxobutanenitrile

Guidance literature:: With methyl magnesium iodide;
DOI:10.1021/jo01148a019

Reference yield:

: 108-86-1,52753-63-6
bromobenzene

: 25369-03-3
2,4-diphenyl-3-oxobutanenitrile

Guidance literature:: Multi-step reaction with 2 steps

1.1: n-butyllithium / tetrahydrofuran / 1 h / -78 °C / Inert atmosphere

1.2: Inert atmosphere

2.1: potassium methanolate / o-xylene / 2.92 h / Reflux

2.2: pH 5 - 6

With n-butyllithium; potassium methanolate; In tetrahydrofuran; o-xylene;
DOI:10.1021/acs.jafc.5b00228