4613-11-0

Basic information

• Product Name: (1-methyl-2-phenylpropyl)benzene
• Synonyms: meso-2,3-Diphenylbutane; 1,1'-butane-2,3-diyldibenzene; [(2R,3S)-3-phenylbutan-2-yl]benzene
• CAS NO: 4613-11-0
• Molecular Formula: C₁₆H₁₈
• Molecular Weight: 210.3141
• Mol File: 4613-11-0.mol
• Article Data: 148

Chemical Properties

• Boiling Point: 274.3°C at 760 mmHg
• Flash Point: 118.1°C
• Density: 0.967g/cm³
• Vapor Pressure: 0.00913mmHg at 25°C
• Refractive Index: 1.552
• CAS DataBase Reference: (1-methyl-2-phenylpropyl)benzene(CAS DataBase Reference)
• NIST Chemistry Reference: (1-methyl-2-phenylpropyl)benzene(4613-11-0)
• EPA Substance Registry System: (1-methyl-2-phenylpropyl)benzene(4613-11-0)

Safety Data

• Hazardous Substances Data: 4613-11-0(Hazardous Substances Data)

Usage

General Description

(1-methyl-2-phenylpropyl)benzene, also known as isobutylbenzene, is a chemical compound that consists of a benzene ring with a side chain containing a methyl and phenyl group. It is commonly used as a fragrance ingredient in perfumes and personal care products, and as a solvent in industrial applications. Isobutylbenzene is a colorless liquid with a sweet, floral odor, and it is flammable at high temperatures. It is also used as an intermediate in the production of other chemicals, such as dyes and pharmaceuticals. Isobutylbenzene can be toxic if inhaled or ingested, and it should be handled with caution in a well-ventilated area.

Upstream product

• 64-17-5 ethanol 
• 94801-46-4 N,N'-bis-(1-phenyl-ethyl)-hydrazine 
• 100-41-4 ethylbenzene 
• 94-36-0 dibenzoyl peroxide 
• 100-42-5 styrene 
• 3377-87-5 3-bromohexane 
• 95-55-6 2-amino-phenol 
• 65-85-0 benzoic acid 
• 7647-01-0 hydrogenchloride 
• 563-47-3 3-Chloro-2-methylpropene 
• 71-43-2 benzene 
• 3710-84-7 N-ethyl-N-hydroxy-ethanamine 
• 878652-43-8 trans-azo-bis(β-phenylethane) 
• 60655-80-3 (E)-4-methylstyrenyl bromide 

Downstream Products

• 24904-79-8 meso-2,3-di-p-nitrophenylbutane 
• 16483-42-4 meso-2.3-bis-(4-bromo-phenyl)-butane 
• 24904-83-4 meso-2,3-bis-(4-amino-phenyl)-butane 
• 81056-03-3 2,3-bis-(4-bromophenyl)-2-butene 
• 98-86-2 acetophenone 
• 873415-22-6 2,3-dibromo-2,3-bis-(4-bromo-phenyl)-butane 
• 74663-71-1 meso-2,3-Dicyclohexylbutan 
• 492-37-5 hydratropic acid 
• 59173-42-1 meso-2,3-dicyclohexyl-butane 

Relevant articles and documents

Reactive separation of β-bromoethylbenzene from α-β-bromoethylbenzene mixtures: a Zn2+-mediated radical polymerization mechanism

A Zn2+-induced reactive separation method for the purification of β-bromoethylbenzene from α-β-bromoethylbenzene mixtures is discovered, where the selective decomposition of α-bromoethylbenzene follows a radical mechanism. Zn2+ facilitates the homolysis of the C-Br bond of halohydrocarbons with benzyl bromide, enabling the separation of the corresponding isomers with almost identical physical properties.

Decarboxylative cross-nucleophile coupling via ligand-to-metal charge transfer photoexcitation of Cu(ii) carboxylates

Reactions that enable carbon–nitrogen, carbon–oxygen and carbon–carbon bond formation lie at the heart of synthetic chemistry. However, substrate prefunctionalization is often needed to effect such transformations without forcing reaction conditions. The development of direct coupling methods for abundant feedstock chemicals is therefore highly desirable for the rapid construction of complex molecular scaffolds. Here we report a copper-mediated, net-oxidative decarboxylative coupling of carboxylic acids with diverse nucleophiles under visible-light irradiation. Preliminary mechanistic studies suggest that the relevant chromophore in this reaction is a Cu(ii) carboxylate species assembled in situ. We propose that visible-light excitation to a ligand-to-metal charge transfer (LMCT) state results in a radical decarboxylation process that initiates the oxidative cross-coupling. The reaction is applicable to a wide variety of coupling partners, including complex drug molecules, suggesting that this strategy for cross-nucleophile coupling would facilitate rapid compound library synthesis for the discovery of new pharmaceutical agents. [Figure not available: see fulltext.].

Molybdenum-Catalyzed Deoxygenation Coupling of Lignin-Derived Alcohols for Functionalized Bibenzyl Chemicals

With the growing demand for sustainability and reducing CO2 footprint, lignocellulosic biomass has attracted much attention as a renewable, carbon-neutral and low-cost feedstock for the production of chemicals and fuels. To realize efficient utilization of biomass resource, it is essential to selectively alter the high degree of oxygen functionality of biomass-derivates. Herein, we introduced a novel procedure to transform renewable lignin-derived alcohols to various functionalized bibenzyl chemicals. This strategy relied on a short deoxygenation coupling pathway with economical molybdenum catalyst. A well-designed H-donor experiment was performed to investigate the mechanism of this Mo-catalyzed process. It was proven that benzyl carbon-radical was the most possible intermediate to form the bibenzyl products. It was also discovered that the para methoxy and phenolic hydroxyl groups could stabilize the corresponding radical intermediates and then facilitate to selectively obtain bibenzyl products. Our research provides a promising application to produce functionalized aromatics from biomass-derived materials.