Benzonitrile, 4-(3-oxo-3-phenyl-1-propenyl)-

Base Information

Chemical Name:Benzonitrile, 4-(3-oxo-3-phenyl-1-propenyl)-
CAS No.:5724-55-0
Molecular Formula:C₁₆H₁₁NO
Molecular Weight:233.269
Hs Code.:
NSC Number:636934,179365
Nikkaji Number:J565.191C,J236.546D
ChEMBL ID:CHEMBL445153

Synonyms:p-cyanochalcone;Benzonitrile, 4-(3-oxo-3-phenyl-1-propenyl)-;MLS000756780;4-[(E)-3-oxo-3-phenylprop-1-enyl]benzonitrile;NSC636934;5724-55-0;4-(3-Oxo-3-phenyl-1-propenyl)benzonitrile;4-((e)-3-oxo-3-phenylprop-1-enyl)benzonitrile;4-Cyanochalcone;4-(3-Oxo-3-phenyl-propenyl)-benzonitrile;NSC179365;(E)-4-Cyanochalcone;CHEMBL445153;SCHEMBL8987364;4-[(1E)-3-OXO-3-PHENYLPROP-1-EN-1-YL]BENZONITRILE;HMS2884B05;STL196406;AKOS015959654;NSC-179365;NSC-636934;SMR000529062;4-(-3-Oxo-3-phenyl-1-propenyl)benzonitrile;4-[(E)-3-oxo-3-phenyl-prop-1-enyl]benzonitrile;AA-504/07476036;Z46028416

Suppliers and Price of Benzonitrile, 4-(3-oxo-3-phenyl-1-propenyl)-

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 7 raw suppliers

Chemical Property of Benzonitrile, 4-(3-oxo-3-phenyl-1-propenyl)-

Chemical Property:

Vapor Pressure:2.13E-07mmHg at 25°C
Boiling Point:424.1°C at 760 mmHg
Flash Point:210.3°C
Density:1.16g/cm³
XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:233.084063974
Heavy Atom Count:18
Complexity:349

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)C#N
Isomeric SMILES:C1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)C#N

Technology Process of Benzonitrile, 4-(3-oxo-3-phenyl-1-propenyl)-

There total 13 articles about Benzonitrile, 4-(3-oxo-3-phenyl-1-propenyl)- 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: 98.0%

: 98-86-2
acetophenone

: 105-07-7
4-cyanobenzaldehyde

: 22966-17-2,72758-75-9,5724-55-0
4-cyanochalcone

Guidance literature:: With Co(II)-VP-St (crosslinked 4-vinylpyridine-styrene copolimer); N,N-dimethyl-formamide; at 80 ℃; for 18h;
DOI:10.1246/bcsj.55.3208

Reference yield: 98.0%

: 98-86-2
acetophenone

: 105-07-7
4-cyanobenzaldehyde

: 72758-75-9,5724-55-0,22966-17-2
(E)-4-(3-oxo-3-phenylprop-1-en-1-yl)benzonitrile

Guidance literature:: With sodium hydroxide; In methanol; for 0.666667h;
DOI:10.1016/j.ejmech.2006.08.012

Reference yield: 96.0%

: 623-00-7
4-bromobenzenecarbonitrile

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

: 72758-75-9,5724-55-0,22966-17-2
(E)-4-(3-oxo-3-phenylprop-1-en-1-yl)benzonitrile

Guidance literature:: With copper(l) iodide; triethylamine; triphenylphosphine; bis-triphenylphosphine-palladium(II) chloride; In tetrahydrofuran; at 150 ℃; for 0.25h; microwave irradiation;
DOI:10.1002/adsc.200600280