16251-77-7

Basic information

• Product Name: 3-PHENYLBUTYRALDEHYDE
• Synonyms: beta-methyl-benzenepropana;R,S-3-Phenyl-butyraldehyde;Trifernal;3-Phenylbutylraldehyde;Benzenepropanal, .beta.-methyl-;3-Phenylbutyraldehyd;TRIFERNAL, FIRMENICH;PHENYLBUTYRALDEHYDE(3-)
• CAS NO: 16251-77-7
• Molecular Formula: C₁₀H₁₂O
• Molecular Weight: 148.2
• EINECS: 240-362-9
• Product Categories: Aldehydes;C10 to C21;Carbonyl Compounds
• Mol File: 16251-77-7.mol
• Article Data: 125

Chemical Properties

• Boiling Point: 93-94 °C16 mm Hg(lit.)
• Flash Point: 206 °F
• Appearance: /
• Density: 0.997 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.206mmHg at 25°C
• Refractive Index: n20/D 1.5179(lit.)
• Water Solubility: 2g/L at 20℃
• CAS DataBase Reference: 3-PHENYLBUTYRALDEHYDE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-PHENYLBUTYRALDEHYDE(16251-77-7)
• EPA Substance Registry System: 3-PHENYLBUTYRALDEHYDE(16251-77-7)

Safety Data

• WGK Germany: 2
• Hazardous Substances Data: 16251-77-7(Hazardous Substances Data)

Usage

Uses

3-Phenylbutyraldehyde was used as a reactant to study the kinetics of the reaction of hydrogen peroxide and certain aromatic aldehydes with cytochrome P450BM3-F87G.

Flammability and Explosibility

Nonflammable

InChI:InChI=1/C10H12O/c1-9(7-8-11)10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3

Upstream product

• 1459-00-3 1-bromo-2-phenylpropane 
• 2722-36-3 3-phenyl-1-butanol 
• 100127-45-5 1,1,1-trichloro-4-phenyl-pentan-2-ol 
• 3561-67-9 bis(phenylthio)methane 
• 51136-87-9 tris(2-phenylpropyl)borane 
• 3052-45-7 allyllithium 
• 34097-88-6 cinnamyltrimethylammonium iodide 
• 15681-48-8 lithium dimethylcuprate 
• 104-55-2 3-phenyl-propenal 
• 14371-10-9 (E)-3-phenylpropenal 
• 89984-56-5 methyl manganese chloride 
• 591-50-4 iodobenzene 
• 627-27-0 homoalylic alcohol 
• 28084-55-1 α-methylbenzyl vinyl ether 

Downstream Products

• 27395-21-7 2-Formylamino-4-phenyl-pentanoic acid amide 
• 119092-11-4 (4S,5S)-1,3-Dimethyl-4,5-diphenyl-2-(2-phenyl-propyl)-imidazolidine 
• 133420-72-1 (E)-4-phenyl-1-(phenylsulfonyl)-1-penten-3-ol 
• 704-79-0 (Z)-3-phenylbut-2-enoic acid 
• 704-80-3 (E)-3-phenyl-2-butenoic acid 
• 4593-90-2 3-phenylbutyric acid 
• 78999-43-6 C₂₀H₂₄ 
• 16251-77-7 3-Phenyl-butyraldehyde 
• 16251-77-7 3-Phenyl-butyraldehyde 
• 80691-79-8 2-methylene-3-phenylbutyraldehyde 
• 2031-46-1 (R)-3-phenylbutanol 
• 2031-46-1 (3S)-3-phenylbutan-1-ol 
• 4593-90-2 (S)-2-phenylbutanoic acid 
• 2722-36-3 3-phenyl-1-butanol 

Relevant articles and documents

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Highly active rhodium/phosphorus catalytic system for the hydroformylation of α-methylstyrene

Rhodium catalyzed hydroformylation of α-methylstyrene was investigated in the presence of monodentate phosphine ligands L1-L6. We found that the phosphine with good π-acceptability could efficiently improve the activity of the α-methylstyrene hydroformylation. The big steric hindrance of α-C in α-methylstyrene enhanced the regioselectivity towards the linear aldehyde, which resulted in 3-phenylbutanal as the predominant product (>99.0%). When tris(N-pyrrolyl)phosphine (L1) modified Rh(acac)(CO)2 was employed as the catalyst, the TOF could reach up to 5786 h-1 in the α-methylstyrene hydroformylation at relatively mild conditions (110 °C, 6 MPa).

Linear Selective Hydroformylation of 2-Arylpropenes Using Water-Soluble Rh-PNP Complex: Straightforward Access to 3-Aryl-Butyraldehydes

Straightforward access to 3-aryl-butyraldehydes was developed through the aqueous biphasic Rh-catalyzed hydroformylation of 2-arylpropenes using a water-soluble PNP ligand. This protocol accommodates broad substrate scope with high yields (up to 95 %) and excellent linear selectivity (>99 : 1 b/l ratio). The synthesis of rac-ar-turmerone and the gram-scale hydroformylation further demonstrated the practical nature of this method.

Method for preparing aldehyde/ketone by breaking C-C key

The invention discloses a method for preparing aldehyde/ketone by breaking C-C bonds, and the method comprises the following steps of anaerobic condition. In an organic solvent system, an alcohol is used as a reaction raw material, and the C-C bond is selectively broken under the common action of an iron catalyst, an organic base and an additive to obtain aldehyde/ketone. The method is low in cost, easy to obtain, wide in substrate range, simple and product in post-treatment and high in purity, a new synthetic route and a method are developed for an aldehyde ketone compound, and the method has good application potential and research value.