2,2-dimethyl-6-(2-oxopropyl)-4H-1,3-dioxin-4-one
[CAS# 130473-38-0]

Identification

• Classification: Analytical chemistry >> Food safety >> Dioxins, polychlorinated biphenyls, furans
• Name: 2,2-dimethyl-6-(2-oxopropyl)-4H-1,3-dioxin-4-one
• Molecular Formula: C₉H₁₂O₄
• Molecular Weight: 184.19
• CAS Registry Number: 130473-38-0
• EC Number: 988-403-6
• SMILES: CC(=O)CC1=CC(=O)OC(O1)(C)C

Properties

• Density: 1.1±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.451, Calc.^*
• Boiling Point: 303.5±42.0 ºC (760 mmHg), Calc.^*
• Flash Point: 133.5±27.9 ºC, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.

Safety Data

• Hazard Symbols: GHS07 Warning
• Hazard Statements: H302-H315-H319-H335
• Precautionary Statements: P261-P264-P264+P265-P270-P271-P280-P301+P317-P302+P352-P304+P340-P305+P351+P338-P319-P321-P330-P332+P317-P337+P317-P362+P364-P403+P233-P405-P501

Discovory and Applicatios

2,2-Dimethyl-6-(2-oxopropyl)-4H-1,3-dioxin-4-one is an organic compound that belongs to the class of dioxin derivatives. It is characterized by the presence of a dioxin ring system, which consists of two oxygen atoms incorporated into a six-membered cyclic structure. This compound also features a dimethyl group at the 2-position and a 2-oxopropyl group attached at the 6-position of the dioxin ring. These functional groups contribute to the compound's unique chemical reactivity and make it a valuable intermediate in various chemical syntheses.

The discovery of 2,2-dimethyl-6-(2-oxopropyl)-4H-1,3-dioxin-4-one is part of the ongoing exploration of functionalized dioxins, which have proven to be versatile in organic synthesis. Dioxins, as a class of compounds, have been studied for their stability, reactivity, and ability to participate in a range of chemical reactions. The introduction of the 2-oxopropyl group at the 6-position in this compound enhances its reactivity, making it particularly useful as an intermediate for the synthesis of more complex organic molecules.

One of the primary applications of 2,2-dimethyl-6-(2-oxopropyl)-4H-1,3-dioxin-4-one lies in the field of organic synthesis. The compound is a valuable building block for the preparation of a variety of other chemicals, especially in the production of pharmaceuticals and agrochemicals. The dioxin ring structure allows for the introduction of diverse substituents, which can be used to modify the compound's properties, such as its solubility, stability, and biological activity. By altering the functional groups attached to the core structure, researchers can design molecules with specific pharmacological properties.

In the pharmaceutical industry, 2,2-dimethyl-6-(2-oxopropyl)-4H-1,3-dioxin-4-one is used in the synthesis of compounds with potential therapeutic applications. The reactivity of the dioxin ring enables the formation of derivatives that can interact with biological targets, making them useful in drug discovery. These derivatives may exhibit a wide range of biological activities, including antimicrobial, anti-inflammatory, and anticancer properties. Furthermore, the compound's ability to undergo various transformations, such as nucleophilic substitution or ring-opening reactions, makes it a useful intermediate for designing novel drug candidates.

In addition to its use in pharmaceutical synthesis, 2,2-dimethyl-6-(2-oxopropyl)-4H-1,3-dioxin-4-one also has applications in the development of agrochemicals. The compound can be used as a precursor for the synthesis of herbicides, fungicides, and insecticides. The dioxin ring system has been shown to have potential bioactivity against certain pests and pathogens, making it a valuable scaffold for the design of new agrochemical products.

Moreover, 2,2-dimethyl-6-(2-oxopropyl)-4H-1,3-dioxin-4-one can be explored in materials science for the development of functional materials. Its unique structure allows it to participate in reactions that can modify the properties of materials, such as enhancing their electronic or optical characteristics. Research in this area is still emerging, but the compound's versatility and ease of modification make it an attractive candidate for the design of advanced materials.

In conclusion, 2,2-dimethyl-6-(2-oxopropyl)-4H-1,3-dioxin-4-one is a valuable compound in organic synthesis, with applications in the pharmaceutical and agrochemical industries, as well as potential uses in materials science. Its unique chemical structure and reactivity make it an important intermediate for the development of new drugs, pesticides, and functional materials, highlighting its broad utility in modern chemical research.