4-(1,4-Dioxo-1,4-diphenylbutan-2-yl)benzonitrile

Base Information

Chemical Name:4-(1,4-Dioxo-1,4-diphenylbutan-2-yl)benzonitrile
CAS No.:86864-17-7
Molecular Formula:C23H17NO2
Molecular Weight:339.393
Hs Code.:
DSSTox Substance ID:DTXSID20529809
Nikkaji Number:J1.698.188E

Synonyms:86864-17-7;4-(1,4-Dioxo-1,4-diphenylbutan-2-yl)benzonitrile;DTXSID20529809

Suppliers and Price of 4-(1,4-Dioxo-1,4-diphenylbutan-2-yl)benzonitrile

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 0 raw suppliers

Chemical Property of 4-(1,4-Dioxo-1,4-diphenylbutan-2-yl)benzonitrile

Chemical Property:

PSA：57.93000
LogP:4.79778
XLogP3:4.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:339.125928785
Heavy Atom Count:26
Complexity:526

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 4-(1,4-Dioxo-1,4-diphenylbutan-2-yl)benzonitrile

There total 7 articles about 4-(1,4-Dioxo-1,4-diphenylbutan-2-yl)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: 84.0%

: 86864-14-4
3-(p-cyanophenyl)-4,4-bis(phenylthio)-1,4-diphenyl-1-butanone

: 86864-17-7
4-(1-benzoyl-3-oxo-3-phenyl-propyl)-benzonitrile

Guidance literature:: With copper(II) oxide; copper dichloride; In water; acetone;
DOI:10.1021/jo00175a012

Reference yield: 84.0%

: 623-00-7
4-bromobenzenecarbonitrile

: 4187-87-5
1-Phenyl-2-propyn-1-ol

: 100-52-7
benzaldehyde

: 86864-17-7
4-(1-benzoyl-3-oxo-3-phenyl-propyl)-benzonitrile

Guidance literature:: 4-bromobenzenecarbonitrile; 1-Phenyl-2-propyn-1-ol; With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; for 16h; Heating;

benzaldehyde; With N-methyl-4-methyl-5-(2-hydroxyethyl)thiazolin iodide; In triethylamine; for 8h; Further stages.; Heating;
DOI:10.1021/ol0165185

Reference yield: 76.0%

: 3435-51-6
4-ethenylbenzonitrile

: 611-73-4
Benzoylformic acid

: 86864-17-7
4-(1-benzoyl-3-oxo-3-phenyl-propyl)-benzonitrile

Guidance literature:: With chromium dichloride; 4,4'-dimethyl-2,2'-bipyridines; [4,4′-bis(1,1-dimethylethyl)-2,2′-bipyridine-N1,N1′]bis{3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-κN]phenyl-κC}iridium(III) hexafluorophosphate; sodium hydrogencarbonate; In 1,4-dioxane; at 20 ℃; for 24h; Irradiation;
DOI:10.1021/acscatal.1c05672