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Related Concept Videos

NMR Spectroscopy of Benzene Derivatives01:37

NMR Spectroscopy of Benzene Derivatives

Simple unsubstituted benzene has six aromatic protons, all chemically equivalent. Therefore, benzene exhibits only a singlet peak at δ 7.3 ppm in the 1H NMR spectrum. The observed shift is far downfield because the aromatic ring current strongly deshields the protons. Any substitution on the benzene ring makes the aromatic protons nonequivalent, and the protons split each other. The peak is, therefore, no longer a singlet and the splitting pattern and their associated coupling constants depend...
Nomenclature of Aromatic Compounds with Multiple Substituents01:11

Nomenclature of Aromatic Compounds with Multiple Substituents

When more than one substituent is present on the benzene ring, the IUPAC nomenclature depends on the number of substituents present.
For disubstituted benzene derivatives, with two groups attached to the benzene ring, three constitutional isomers are possible. For example, consider dimethyl benzene, often called xylene, where the second methyl group can be substituted at the second, third, or fourth carbon. The relative position of the substituents is represented by prefixes ortho, meta, or...
Nomenclature of Aromatic Compounds with a Single Substituent01:23

Nomenclature of Aromatic Compounds with a Single Substituent

Benzene is the simplest aromatic hydrocarbon or arene. The IUPAC names for simple monosubstituted benzene derivatives are derived by adding the substituent's name as a prefix to the parent benzene. For example, halobenzene, where the halogen could be fluoro (F), chloro (Cl), bromo (Br), and iodo (I).
Structure and Nomenclature of Alcohols and Phenols02:23

Structure and Nomenclature of Alcohols and Phenols

Overview
Alcohols are one of the most important functional groups in organic chemistry. The name of alcohol comes from the hydrocarbon from which it is derived. Alcohols are organic molecules containing the functional hydroxyl or –OH group directly bonded to carbon. Phenols have an OH group directly attached to a benzene ring. While alcohols are colorless, phenol is a white crystalline compound with a characteristic "hospital smell" odor.
As with other organic compounds, alcohols and phenols...
Reactions at the Benzylic Position: Oxidation and Reduction00:59

Reactions at the Benzylic Position: Oxidation and Reduction

The benzylic position describes the position of a carbon atom attached directly to a benzene ring. Benzene by itself does not undergo oxidation. In contrast, the benzylic carbon is quite reactive in the presence of strong oxidizing agents such as KMnO4 or H2CrO4. Therefore, alkylbenzenes are readily oxidized to benzoic acid, irrespective of the type of alkyl groups.
Benzene to Phenol via Cumene: Hock Process01:27

Benzene to Phenol via Cumene: Hock Process

The synthesis of phenol from benzene via cumene and cumene hydroperoxide is called the Hock process. First, a Friedel–Crafts alkylation reaction of benzene with propene gives cumene. Then cumene forms cumene hydroperoxide via a radical chain reaction. In the chain initiation step, the benzylic hydrogen is abstracted to give a benzylic radical. In the chain propagation step, the benzylic radical reacts with an oxygen diradical to form a cumene hydroperoxide radical. The cumene hydroperoxide...

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Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-<i>N</i>'-benzyl-idene-4-chloro-benzene-sulfono-hydrazide and of its (<i>E</i>)-4-chloro-<i>N</i>'-(<i>ortho</i>- and <i>para</i>-methyl-benzyl-idene)benzene-sulfono-hydrazide derivatives.

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Updated: Jun 5, 2026

Synthesis of Esters Via a Greener Steglich Esterification in Acetonitrile
06:52

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Published on: October 30, 2018

2-Methyl-phenyl 4-methyl-benzoate.

B Thimme Gowda, Sabine Foro, K S Babitha

    Acta Crystallographica. Section E, Structure Reports Online
    |January 5, 2011
    PubMed
    Summary
    This summary is machine-generated.

    The study details the molecular structure of 2MP4MBA, revealing its C=O bond conformation and comparing its parameters to related aryl benzoates. This research provides insights into the structural characteristics of methyl-substituted benzoate esters.

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    Palladium N-Heterocyclic Carbene Complexes: Synthesis from Benzimidazolium Salts and Catalytic Activity in Carbon-carbon Bond-forming Reactions

    Published on: July 30, 2017

    Area of Science:

    • Organic Chemistry
    • Crystallography
    • Molecular Structure

    Background:

    • Aryl benzoates are a class of organic compounds with diverse applications.
    • Understanding the precise molecular conformation is crucial for predicting chemical properties and reactivity.
    • Previous studies have characterized various benzoate esters, providing a basis for comparison.

    Purpose of the Study:

    • To elucidate the specific molecular conformation of 2MP4MBA (C(15)H(14)O(2)).
    • To compare the bond parameters of 2MP4MBA with structurally similar compounds.
    • To analyze the dihedral angle between the aromatic rings in 2MP4MBA.

    Main Methods:

    • Single-crystal X-ray diffraction analysis was employed to determine the solid-state structure.
    • Bond parameters, including bond lengths and angles, were meticulously measured.
    • The dihedral angle between the phenyl and benzoate rings was calculated.

    Main Results:

    • The conformation of the carbonyl (C=O) bond in 2MP4MBA was determined to be anti to the ortho-methyl group on the phenoxy ring.
    • Key bond parameters of 2MP4MBA were found to be similar to those observed in 3-methyl-phenyl 4-methyl-benzoate (3MP4MBA) and 4-methyl-phenyl 4-methyl-benzoate (4MP4MBA).
    • The dihedral angle between the two aromatic rings in 2MP4MBA was precisely measured as 73.04(8)°.

    Conclusions:

    • The structural analysis of 2MP4MBA provides valuable data on its specific molecular conformation.
    • The observed similarities in bond parameters suggest conserved structural motifs within this class of aryl benzoates.
    • The determined dihedral angle offers insight into the spatial arrangement and potential interactions of the aromatic systems.