4-[3-(4-Bromophenyl)-3-oxoprop-1-enyl]benzonitrile

Base Information

Chemical Name:4-[3-(4-Bromophenyl)-3-oxoprop-1-enyl]benzonitrile
CAS No.:62584-61-6
Molecular Formula:C16H10BrNO
Molecular Weight:312.166
Hs Code.:
DSSTox Substance ID:DTXSID30403484

Synonyms:4-[3-(4-bromophenyl)-3-oxoprop-1-enyl]benzonitrile;62584-61-6;DTXSID30403484;AKOS034379752;4-[3-(4-bromo-phenyl)-3-oxo-propenyl]-benzonitrile

Suppliers and Price of 4-[3-(4-Bromophenyl)-3-oxoprop-1-enyl]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
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price

Total 1 raw suppliers

Chemical Property of 4-[3-(4-Bromophenyl)-3-oxoprop-1-enyl]benzonitrile

Chemical Property:

XLogP3:3.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:310.99458
Heavy Atom Count:19
Complexity:379

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C=CC(=O)C2=CC=C(C=C2)Br)C#N

Technology Process of 4-[3-(4-Bromophenyl)-3-oxoprop-1-enyl]benzonitrile

There total 6 articles about 4-[3-(4-Bromophenyl)-3-oxoprop-1-enyl]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: 83.0%

: 623-00-7
4-bromobenzenecarbonitrile

: 85020-75-3
1-(4-bromophenyl)-2-propyn-1-ol

: 62584-61-6
(E)-4-(3-(4-bromophenyl)-3-oxoprop-1-en-1-yl)benzonitrile

Guidance literature:: With triethylamine; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; In tetrahydrofuran; for 14h; Heating;
DOI:10.1002/chem.200600530

Reference yield: 63.0%

: 99-90-1
para-bromoacetophenone

: 105-07-7
4-cyanobenzaldehyde

: 62584-61-6
(E)-4-(3-(4-bromophenyl)-3-oxoprop-1-en-1-yl)benzonitrile

Guidance literature:: With sodium hydroxide; In methanol; water; at 0 - 20 ℃; for 16.5h;
DOI:10.1021/acs.jmedchem.1c00305

Reference yield:

: 1122-91-4
4-bromo-benzaldehyde

: 62584-61-6
(E)-4-(3-(4-bromophenyl)-3-oxoprop-1-en-1-yl)benzonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 83 percent / triethylamine / [PdCl₂(PPh₃)2]; CuI / tetrahydrofuran / 14 h / Heating

With triethylamine; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; In tetrahydrofuran; 2: Sonogashira coupling-isomerization reaction;
DOI:10.1002/chem.200600530