106731-06-0

Basic information

• Product Name: 1-methyl-3-(4-nitrobenzyl)benzene
• Synonyms: 1-methyl-3-(4-nitrobenzyl)benzene
• CAS NO: 106731-06-0
• Molecular Weight: 227.263
• Mol File: 106731-06-0.mol
• Article Data: 8

Chemical Properties

• CAS DataBase Reference: 1-methyl-3-(4-nitrobenzyl)benzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1-methyl-3-(4-nitrobenzyl)benzene(106731-06-0)
• EPA Substance Registry System: 1-methyl-3-(4-nitrobenzyl)benzene(106731-06-0)

Safety Data

• Hazardous Substances Data: 106731-06-0(Hazardous Substances Data)

Usage

Nitroaromatic compound

Aromatic structure 1-methyl-3-(4-nitrobenzyl)benzene is a nitroaromatic compound, meaning it contains a benzene ring with a nitro group (-NO2) attached to it.

Substitution pattern

1-methyl and 3-(4-nitrobenzyl) The benzene ring is substituted with a methyl group (-CH3) at the 1-position and a 4-nitrobenzyl group (-C6H4(NO2)CH2-) at the 3-position.

Building block in organic synthesis

Preparation of pharmaceuticals and organic compounds 1-methyl-3-(4-nitrobenzyl)benzene is commonly used as a building block in organic synthesis for the preparation of various pharmaceuticals and other organic compounds.

Antioxidant properties

Reducing oxidative damage 1-methyl-3-(4-nitrobenzyl)benzene has been found to exhibit antioxidant properties, which can help reduce oxidative damage in various applications.

Antimicrobial properties

Inhibition of microbial growth The compound also exhibits antimicrobial properties, making it potentially useful for inhibiting the growth of microorganisms in medicine and materials science.

Valuable tool for research

Drug development and scientific fields Due to its chemical structure and properties, 1-methyl-3-(4-nitrobenzyl)benzene is a valuable tool for research in drug development and other scientific fields.

Upstream product

• 100-14-1 4-nitrobenzyl chloride 
• 108-88-3 toluene 
• 500-11-8 4-nitrobenzyl fluoride 
• 17933-03-8 m-tolylboronic acid 
• 100-11-8 1-bromomethyl-4-nitro-benzene 
• 619-73-8 4-nitrobenzyl chloride 
• 183156-73-2 N-(4-nitrobenzyl)-N-nitrosoacetamide 
• 71-43-2 benzene 
• 98-51-1 4-tert-butyltoluene 

Relevant articles and documents

Palladium and Nickel Catalyzed Suzuki Cross-Coupling with Alkyl Fluorides

Suzuki cross-coupling of benzylic and unactivated aliphatic fluorides with aryl- and alkenylboronic acids has been achieved via mechanistically distinct Pd and Ni catalyzed pathways that outperform competing protodeboronation, β-hydride elimination, and h

Dual copper- and photoredox-catalysed C(sp2)-C(sp3) coupling

The use of copper catalysis with visible light photoredox catalysis in a cooperative fashion has recently emerged as a versatile means of developing new C-C bond forming reactions. In this work, dual copper and photoredox catalysis is exploited to effect C(sp2)-C(sp3) cross-couplings between aryl boronic acids and benzyl bromides.

A Study of N-Nitrosoamide-Mediated Friedel-Crafts Type Benzylation of Benzene-Toluene and Benzene-Anisole1a

Nitrogen-separated carbocation-carboxylate ion pairs were employed as sources of carbocations in the alkylation of aromatic compounds. The N-nitrosoamide approach to these nitrogenous-molecule-separated ion pairs is an excellent alternative to the standard acid-catalyzed Friedel-Crafts approach for studies of the alkylation because of the following variables: high reactivity of the electrophile, stability of the products, strict kinetic control, homogeneity, lack of over alkylation, straightforward chemistry, and good product balance. In deaminative benzylations of benzene-toluene and anisole-benzene mixtures, the values of kX/kB and % meta isomer are significantly different from those observed in the standard benzylations in a manner that indicates the deaminative electrophiles are more reactive than those generated by the standard Friedel-Crafts approach. The reactions show a direct proportionality between inter- and intramolecular selectivities and thus follow the Brown selectivity relationship (BSR). The benzylation of 2,4,6-trideuteriotoluene provided no evidence for deuterium rearrangements (or coupled benzyl rearrangements) in the arenium ion intermediate. Kinetic isotope effects were not detected. The methyl substituent on toluene appears to affect intermolecular selectivity (kT/kB) and intramolecular selectivity (o, m, p distribution) to similar degrees. A mechanism is proposed in which both selectivities are determined by activation energy differences in the transition states leading to the σ-complex intermediates. The observation that most standard Friedel-Crafts benzylations do not follow the BSR is discussed in terms of possible systematic errors in those cases. Silver ion-assisted Friedel-Crafts benzylations were performed under dry, basic conditions to investigate whether the standard approach could lead to data that obey the BSR.