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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...
Electrophilic Aromatic Substitution: Fluorination and Iodination of Benzene01:13

Electrophilic Aromatic Substitution: Fluorination and Iodination of Benzene

Bromination and chlorination of aromatic rings by electrophilic aromatic substitution reactions are easily achieved, but fluorination and iodination are difficult to achieve. Fluorine is so reactive that its reaction with benzene is difficult to control, resulting in poor yields of monofluoroaromatic products. To address this, Selectfluor reagent is used as a fluorine source in which a fluorine atom is bonded to a positively charged nitrogen.
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...
Electrophilic Aromatic Substitution: Sulfonation of Benzene01:22

Electrophilic Aromatic Substitution: Sulfonation of Benzene

Sulfonation of benzene is a reaction wherein benzene is treated with fuming sulfuric acid at room temperature to produce benzenesulfonic acid. Fuming sulfuric acid is a mixture of sulfur trioxide and concentrated sulfuric acid.
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).
Reactions at the Benzylic Position: Halogenation01:11

Reactions at the Benzylic Position: Halogenation

Benzylic halogenation takes place under conditions that favor radical reactions such as heat, light, or a free radical initiator like peroxide.

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

Protocol for the Synthesis of Ortho-trifluoromethoxylated Aniline Derivatives

Published on: January 19, 2016

2-(Trifluoro-meth-yl)benzoic acid.

Richard Betz1, Thomas Gerber

  • 1Nelson Mandela Metropolitan University, Summerstrand Campus, Department of Chemistry, University Way, Summerstrand, PO Box 77000, Port Elizabeth 6031, South Africa.

Acta Crystallographica. Section E, Structure Reports Online
|July 15, 2011
PubMed
Summary
This summary is machine-generated.

This study details the crystal structure of a trifluoromethylated benzoic acid derivative. Molecular interactions, including hydrogen bonding and C-H⋯F contacts, dictate its unique crystalline arrangement.

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Area of Science:

  • Crystallography
  • Organic Chemistry
  • Materials Science

Background:

  • Benzoic acid derivatives are important in medicinal chemistry and materials science.
  • Halogenation of organic molecules can significantly alter their physical and chemical properties.
  • Understanding crystal packing is crucial for predicting material behavior.

Purpose of the Study:

  • To elucidate the crystal structure of a specific halogenated benzoic acid derivative, C(8)H(5)F(3)O(2).
  • To investigate the intermolecular interactions governing the compound's solid-state arrangement.
  • To provide insights into the structure-property relationships of fluorinated organic acids.

Main Methods:

  • Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
  • Analysis of hydrogen bonding (O-H⋯O) and other non-covalent interactions (C-H⋯O, C-H⋯F, C-F⋯π).
  • Geometric analysis of the carboxyl group's orientation relative to the aromatic ring.

Main Results:

  • The carboxyl group exhibits a significant tilt (16.8°) relative to the aromatic ring plane.
  • Carboxylic acid dimers are formed via O-H⋯O hydrogen bonds.
  • Double chains are observed along [1,1/4,1] facilitated by C-H⋯O contacts.
  • Additional C-H⋯F and C-F⋯π interactions were identified in the crystal lattice.

Conclusions:

  • The crystal structure is stabilized by a combination of strong hydrogen bonds and weaker non-covalent interactions.
  • The observed packing motif highlights the influence of the trifluoromethyl group and carboxyl group on molecular assembly.
  • This detailed structural information can inform the design of novel fluorinated organic materials.