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2-Hydroxy-4,5-dimethoxybenzoic acid phenyl ester
[CAS# 877997-98-3]

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Identification
Classification Organic raw materials >> Carboxylic compounds and derivatives >> Carboxylic esters and their derivatives
Name 2-Hydroxy-4,5-dimethoxybenzoic acid phenyl ester
Molecular Structure CAS # 877997-98-3, 2-Hydroxy-4,5-dimethoxybenzoic acid phenyl ester
Molecular Formula C15H14O5
Molecular Weight 274.27
CAS Registry Number 877997-98-3
SMILES COC1=C(C=C(C(=C1)C(=O)OC2=CC=CC=C2)O)OC
Properties
Solubility Practically insoluble (0.021 g/L) (25 ºC), Calc.*
Density 1.250±0.06 g/cm3 (20 ºC 760 Torr), Calc.*
Index of Refraction 1.582, Calc.*
Boiling Point 431.2±45.0 ºC (760 mmHg), Calc.*
Flash Point 160.8±22.2 ºC, Calc.*
* Calculated using Advanced Chemistry Development (ACD/Labs) Software.
Safety Data
Hazard Symbols symbol   GHS07 Warning    Details
Hazard Statements H315-H319-H335    Details
Precautionary Statements P261-P305+P351+P338    Details
SDS Available
up Discovory and Applicatios
2-Hydroxy-4,5-dimethoxybenzoic acid phenyl ester is a chemical compound that has been studied primarily for its potential applications in organic synthesis and medicinal chemistry. It belongs to the class of esters derived from 2-hydroxy-4,5-dimethoxybenzoic acid, which is known for its aromatic structure and methoxy substituents that can influence the chemical reactivity and biological activity of the compound.

The discovery of 2-hydroxy-4,5-dimethoxybenzoic acid phenyl ester is closely related to the exploration of benzoic acid derivatives in the fields of material science, pharmacology, and synthetic chemistry. The esterification of 2-hydroxy-4,5-dimethoxybenzoic acid with phenol results in the formation of this ester, a modification that alters the solubility and reactivity of the parent acid. This esterification process is commonly employed in organic synthesis as a method to modify the properties of benzoic acid derivatives.

One of the key applications of 2-hydroxy-4,5-dimethoxybenzoic acid phenyl ester lies in the study of its biological activity. The parent compound, 2-hydroxy-4,5-dimethoxybenzoic acid, is known to possess antioxidant properties due to the presence of the hydroxyl group and methoxy groups, which can donate electrons to neutralize free radicals. The esterification of this compound with phenol can influence its ability to act as an antioxidant or as a precursor for further functionalization. Research has shown that esters of benzoic acids, such as 2-hydroxy-4,5-dimethoxybenzoic acid phenyl ester, may have potential applications in pharmaceutical formulations, particularly in the design of molecules that interact with biological targets.

In the realm of synthetic chemistry, 2-hydroxy-4,5-dimethoxybenzoic acid phenyl ester is utilized as an intermediate in the preparation of other more complex molecules. Its structure, with a benzene ring and ester functional group, makes it a versatile building block for the construction of various organic compounds, which can be useful in the development of new materials, dyes, or bioactive substances. The ester group in the molecule also facilitates the introduction of other functional groups, which can modify its chemical reactivity and make it suitable for specific synthetic routes.

Furthermore, compounds derived from 2-hydroxy-4,5-dimethoxybenzoic acid phenyl ester have been investigated for their potential use in agriculture. Esters of benzoic acids, particularly those with methoxy groups, can exhibit antifungal, antibacterial, or insecticidal properties, which makes them attractive candidates for the development of new agrochemicals. However, the specific activity of 2-hydroxy-4,5-dimethoxybenzoic acid phenyl ester in this context would need to be evaluated through further studies.

The ester is also studied in the context of its stability and reactivity under various conditions, such as different temperatures and solvent environments. This information is critical for understanding how the compound behaves during storage and in reaction processes, ensuring that it can be safely handled and utilized in synthetic applications. The stability of such esters in different chemical environments also influences their suitability for various industrial applications.

In summary, 2-hydroxy-4,5-dimethoxybenzoic acid phenyl ester is a compound that has applications in organic synthesis, medicinal chemistry, and material science. Its esterification with phenol alters the properties of the parent benzoic acid, providing a useful intermediate for further chemical transformations. While its direct applications in pharmaceuticals or agriculture may be limited, it serves as an important building block in the synthesis of other bioactive molecules and compounds of industrial interest. The study of such compounds continues to contribute to the broader field of organic chemistry, where modifications of simple molecules can lead to a wide array of functionalized substances.
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