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Related Concept Videos

IUPAC Nomenclature of Aldehydes01:16

IUPAC Nomenclature of Aldehydes

Aldehydes are named based on the systematic nomenclature rules set by the IUPAC. For acyclic aldehydes, the longest carbon chain containing the aldehydic (–CHO) group is considered the parent chain. The aldehyde is named by replacing the last letter “e” in the hydrocarbon name with “al”. For instance, a simple, seven-carbon-membered acyclic aldehyde is called heptanal, derived from heptane. The carbon chain is numbered starting from the aldehydic carbon, although the aldehydic carbon’s locant...
Phase II Reactions: Methylation Reactions01:17

Phase II Reactions: Methylation Reactions

Methylation is a phase II biotransformation process involving the attachment of a methyl group to a substrate. Enzymes known as methyltransferases orchestrate this reaction.
The mechanism of methylation unfolds in two stages. The first stage sees a methyltransferase enzyme facilitating the transfer of a methyl group from S-adenosylmethionine (SAM) to the substrate, forming S-adenosylhomocysteine (SAH). The second stage involves further metabolism of SAH into homocysteine, which can be recycled...
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...
Proton (¹H) NMR: Chemical Shift01:07

Proton (¹H) NMR: Chemical Shift

Organic molecules primarily contain carbon and hydrogen atoms. While all the hydrogen isotopes are NMR-active, protium or hydrogen-1 is the most abundant. It has a significant energy separation between its nuclear spin states due to its large gyromagnetic ratio. As per Boltzmann's distribution, an increase in the energy separation implies a greater excess population of nuclei available for excitation, resulting in a strong NMR absorption signal.
Absorption signals of all the protium nuclei in a...
Carboxylic Acids to Methylesters: Alkylation using Diazomethane01:33

Carboxylic Acids to Methylesters: Alkylation using Diazomethane

Carboxylic acids react with diazomethane in an ether solvent via alkylation at the carboxylate oxygen atom to give methyl esters of the corresponding acid with excellent yields.
Multiple Halogenation of Methyl Ketones: Haloform Reaction01:28

Multiple Halogenation of Methyl Ketones: Haloform Reaction

A method involving the transformation of methyl ketones to carboxylic acids using excess base and halogen is called the haloform reaction. It begins with the deprotonation of α hydrogen to form an enolate ion which reacts with the electrophilic halogen to give an α-halo ketone. The step continues until all the α protons are substituted to form a trihalomethyl ketone. The resulting molecule is unstable, and in the presence of a hydroxide base, it readily undergoes nucleophilic acyl substitution.

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Updated: Jun 1, 2026

Protocol for the Synthesis of Ortho-trifluoromethoxylated Aniline Derivatives
08:43

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Published on: January 19, 2016

Methyl 3-(4-methoxy-benzo-yl)propionate.

Sajid Ali, Ghulam Qadeer, Nasim Hasan Rama

    Acta Crystallographica. Section E, Structure Reports Online
    |May 18, 2011
    PubMed
    Summary

    This study details the crystal structure of a compound, C(12)H(14)O(3). Molecular analysis reveals specific benzene ring orientation and intermolecular hydrogen bonds, forming dimers in the crystal lattice.

    Area of Science:

    • Crystallography
    • Molecular Structure Analysis
    • Organic Chemistry

    Background:

    • Understanding the three-dimensional arrangement of molecules is crucial in chemistry.
    • Crystal structure analysis provides insights into intermolecular forces and packing arrangements.
    • The compound C(12)H(14)O(3) was selected for detailed structural investigation.

    Purpose of the Study:

    • To determine the precise crystal structure of the title compound, C(12)H(14)O(3).
    • To analyze the molecular geometry, including dihedral angles between benzene rings.
    • To identify and characterize intermolecular interactions within the crystal lattice.

    Main Methods:

    • Single-crystal X-ray diffraction was employed to collect diffraction data.
    • The crystal structure was solved and refined using standard crystallographic software.

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  • Analysis of bond lengths, bond angles, and non-covalent interactions was performed.

    • Main Results:

    • The asymmetric unit contains two independent molecules of C(12)H(14)O(3).
    • A significant dihedral angle of 72.08° was observed between the benzene rings of the independent molecules.
    • Intermolecular C-H⋯O hydrogen bonds were identified, leading to the formation of centrosymmetric dimers.
    • C-H⋯π contacts were also observed between aromatic groups and benzene rings.

    Conclusions:

    • The crystal structure of C(12)H(14)O(3) has been elucidated.
    • The identified hydrogen bonds and C-H⋯π interactions play a key role in stabilizing the crystal packing.
    • This structural information contributes to the understanding of intermolecular forces in organic solids.