6005-76-1

Basic information

• Product Name: 3-Butenal, 4-phenyl-
• CAS NO: 6005-76-1
• Molecular Formula: C10H10O
• Molecular Weight: 146.189
• Mol File: 6005-76-1.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 3-Butenal, 4-phenyl-(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Butenal, 4-phenyl-(6005-76-1)
• EPA Substance Registry System: 3-Butenal, 4-phenyl-(6005-76-1)

Safety Data

• Hazardous Substances Data: 6005-76-1(Hazardous Substances Data)

Upstream product

• 1515-78-2 buta-1,3-dien-1-ylbenzene 
• 770-36-5 4-phenylbuta-3-en-1-ol 
• 98-95-3 nitrobenzene 
• 53106-73-3 (4-phenyl-buta-1,3-dienyl)-carbamic acid methyl ester 
• 60773-92-4 β-benzalpropionic acid chloride 

Downstream Products

• 104-54-1 3-Phenylpropenol 
• 1088565-52-9 C₁₂H₁₇O₄P 
• 1088565-34-7 C₁₈H₂₂NO₃P 
• 725-51-9 2,2-dimethyl-5-(3-phenyl-allyl)-oxazolidin-4-one 
• 714-18-1 2-hydroxy-5-phenyl-pent-4-enoic acid amide 

Relevant articles and documents

Synthesis of a novel six membered CNS palladacycle; TD-DFT study and catalytic activity towards microwave-assisted selective oxidation of terminal olefin to aldehyde

This article documented synthesis of a Schiff base, E-2-(benzylthio)-N-{(2-methoxynaphthalene-1-yl)methylene}benzenamine (HL) by the treatment of 2-meyhoxynaphthaldehyde and 2-(benzylthio)aniline. Reaction of this synthesized Schiff base with Na2PdCl4has been investigated, which gave a novel six membered Pd(II) complex (PdLCl) through C,N,S-donor atom of Schiff base. These two newly synthesized compounds were characterized by1H NMR, FTIR and UV–Vis spectra and structure of the Pd(II) complex was confirmed by X-ray crystallography. The catalyst (PdLCl) displayed considerable reactivity (up to 99% selectivity and 90% yield) in the selective oxidation of terminal [Formula presented] bond in aryl substituted olefin to aldehyde. The method shows good functional groups compatibility, no ketone byproducts and is operationally simple. Time dependent density functional study (TD-DFT) of representative cyclopalladated complex has been undertaken. The simulated optical spectrum of the complex is in good agreement with the experimentally observed spectrum.