84434-23-1

Basic information

• Product Name: 3-(4-TERT-BUTYL-PHENYL)-PROPENAL
• Synonyms: 3-(4-TERT-BUTYL-PHENYL)-PROPENAL;p-tert-butylcinnamaldehyde;3-[4-(1,1-Dimethylethyl)phenyl]propenal;Einecs 282-823-7
• CAS NO: 84434-23-1
• Molecular Formula: C₁₃H₁₆O
• Molecular Weight: 188.26554
• EINECS: 282-823-7
• Mol File: 84434-23-1.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 289.9°Cat760mmHg
• Flash Point: 117.1°C
• Appearance: /
• Density: 0.968g/cm³
• Vapor Pressure: 0.00214mmHg at 25°C
• Refractive Index: 1.537
• CAS DataBase Reference: 3-(4-TERT-BUTYL-PHENYL)-PROPENAL(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(4-TERT-BUTYL-PHENYL)-PROPENAL(84434-23-1)
• EPA Substance Registry System: 3-(4-TERT-BUTYL-PHENYL)-PROPENAL(84434-23-1)

Safety Data

• Hazardous Substances Data: 84434-23-1(Hazardous Substances Data)

Usage

General Description

3-(4-tert-butyl-phenyl)-propenal is a chemical compound with the chemical formula C13H16O. It is an aldehyde with a molecular weight of 188.26 g/mol and a density of 1.003 g/cm3. 3-(4-TERT-BUTYL-PHENYL)-PROPENAL is commonly used in the fragrance and flavor industry, as it has a sweet, floral, and fruity odor. It is also utilized as a flavoring agent in food products and as a scent in perfumes and personal care products. Additionally, 3-(4-tert-butyl-phenyl)-propenal is known for its potential as an irritant and allergen, and caution should be taken when handling and using this chemical.

InChI:InChI=1/C13H16O/c1-13(2,3)12-8-6-11(7-9-12)5-4-10-14/h4-10H,1-3H3/b5-4+

Upstream product

• 98-51-1 4-tert-butyltoluene 
• 75-07-0 acetaldehyde 
• 3054-95-3 acrylaldehyde diethyl acetal 
• 3972-65-4 1-bromo-4-tert-butylbenzene 
• 939-97-9 4-tert-Butylbenzaldehyde 
• 68175-34-8 1-(tert-butyl)-4-(prop-1-en-1-yl)benzene 
• 3395-82-2 4-t-butylbenzaldehyde dimethyl acetal 
• 120254-49-1 p-tert-butylphenylpropanal 

Downstream Products

• 939-97-9 4-tert-Butylbenzaldehyde 
• 20850-03-7 4-tert-butylcinnamyl alcohol 
• 18127-01-0 3-(4-tert-butylphenyl)propionaldehyde 
• 1193709-39-5 (E)-1-(buta-1,3-dien-1-yl)-4-(tert-butyl)benzene 
• 1632073-62-1 1-(buta-1,3-dien-1-yl)-4-(tert-butyl)benzene 
• 62248-86-6 β-nitro-p-tert-butylstyrene 
• 149169-92-6 p-ter.-Butylphenyl-3-brompropen 

Relevant articles and documents

Method for preparing olefine aldehyde by catalyzing terminal alkyne or terminal conjugated eneyne and diphosphine ligand used in method

The invention discloses a method for preparing olefine aldehyde by catalyzing terminal alkyne or terminal conjugated eneyne and a diphosphine ligand used in the method. According to the invention, indole-substituted phosphoramidite diphosphine ligand which is stable in air and insensitive to light is synthesized by utilizing a continuous one-pot method, and the indole-substituted phosphoramidite diphosphine ligand and a rhodium catalyst are used for jointly catalyzing to successfully achieve a hydroformylation reaction of aromatic terminal alkyne and terminal conjugated eneyne under the condition of synthesis gas for the first time, so that an olefine aldehyde structure compound can be rapidly and massively prepared, and particularly, a polyolefine aldehyde structure compound which is more difficult to synthesize in the prior art can be easily prepared and synthesized, and a novel method is provided for synthesis and modification of drug molecules, intermediates and chemical products.

Evolution of physical and photocatalytic properties of new Zn(II) and Ru(II) complexes

Synthesis of Zn(II) and Ru(II) complexes were reported by using N4-macrocyclic Schiff base ligands under solvothermal conditions. The newly synthesized Zn(II) and Ru(II) complexes have been characterized by various physico-chemical techniques such as elemental analysis, molar conductance, HRMS, TGA, FESEM, UV–Vis, FT-IR, 1H NMR, and cyclic voltammetry. By using molar conductance studies, the complexes are formulated as [Zn(TPTTP)]Cl2 and [Ru(TPTTP)Cl2]. C–H bond activation of an sp3 group of methylstyrenes (converted into cinnamaldehydes) and C–H bond activation of the sp2 bond of polycyclic aromatic hydrocarbons through photooxidation was examined in the presence of Zn(II) and Ru(II) complexes. Reusable activity studies and photostability of catalyst are investigated by using UV–Vis spectra. Based on the results, higher catalytic activity of [Ru(TPTTP)Cl2] complex than [Zn(TPTTP)]Cl2 complex in both C–H bond activation and photooxidation of aromatic hydrocarbons has been reported.

Method for synthesizing 3-(4-tert-butylphenyl)propionaldehyde

The invention discloses a method for synthesizing 3-(4-tert-butylphenyl)propionaldehyde. The method is executed according to reaction formulas as shown in the description and specifically comprises following steps: a compound shown as the formula I is subjected to Claisen-Schmidt condensation reaction, unsaturated aldehydes are produced, and a compound shown as the formula II is obtained; the compound shown as the formula II is dissolved in toluene and ethanediol and subjected to fractional distillation and water discharge under the action of a catalyst, and a compound shown as the formula IIIis produced through condensation; the compound shown as the formula III is dissolved in a solvent, then the catalyst is added, hydrogen is introduced under pressurizing action to reduce double bonds,and a compound shown as the formula IV is obtained; acetal shown as the formula IV is hydrolyzed under the acidic condition to form aldehyde, and 3-(4-tert-butylphenyl)propionaldehyde shown as the formula V is obtained. Compared with Friedel-Crafts acylation reaction in the prior art, the method for synthesizing 3-(4-tert-butylphenyl)propionaldehyde has the advantages as follows: conditions are mild, the Claisen-Schmidt condensation reaction is high in selectivity, unicity of condensation is high, and the problem of severe pollution caused by high consumption of strong-corrosion titanium tetrachloride is solved. The reaction synthesis is low-pollution, aftertreatment is simple, and the requirement of modern green production is met.