Title: In-Depth Study of CAS#4065-45-6: 2-Hydroxy-4-methoxybenzophenone-5-sulfonic Acid

Abstract

This article provides an in-depth study of CAS#4065-45-6, also known as 2-hydroxy-4-methoxybenzophenone-5-sulfonic acid. The compound's chemical properties, synthesis, applications, biological activities, safety considerations, and environmental impact are discussed in detail. This comprehensive analysis aims to offer a thorough understanding of the compound's significance and potential uses in various industries.

1. Chemical Properties

1.1 Molecular Structure

CAS#4065-45-6, or 2-hydroxy-4-methoxybenzophenone-5-sulfonic acid, is a derivative of benzophenone. Its molecular formula is C13H12O5S, and its molecular weight is 284.28 g/mol. The compound features a benzene ring with a hydroxyl group (-OH), a methoxy group (-OCH3), and a sulfonic acid group (-SO3H) attached to it. The presence of these functional groups contributes to its unique chemical properties.

1.2 Physical Properties

2-hydroxy-4-methoxybenzophenone-5-sulfonic acid is a white to off-white crystalline solid. It has a melting point of approximately 160-165°C and a boiling point of around 300°C. The compound is soluble in water and polar organic solvents such as methanol and ethanol, but it is insoluble in non-polar solvents like hexane.

1.3 Stability

The compound is stable under normal conditions but may decompose upon exposure to strong acids or bases. It should be stored in a cool, dry place, away from light and moisture, to maintain its stability.

2. Synthesis

2.1 Synthetic Route

The synthesis of 2-hydroxy-4-methoxybenzophenone-5-sulfonic acid typically involves a multi-step process. The first step is the reaction of benzene with methanol and sulfuric acid to form 4-methoxybenzenesulfonic acid. The second step involves the reaction of 4-methoxybenzenesulfonic acid with benzophenone in the presence of a catalyst to yield 2-hydroxy-4-methoxybenzophenone-5-sulfonic acid.

2.2 Catalysts and Reagents

The synthesis process requires the use of specific catalysts and reagents. Common catalysts include aluminum chloride (AlCl3) or zinc chloride (ZnCl2), while reagents such as sulfuric acid, methanol, and benzophenone are essential for the reaction.

2.3 Yield and Purity

The yield and purity of the synthesized compound depend on the reaction conditions, catalyst choice, and reagent quality. Typically, the yield ranges from 70% to 90%, and the purity can be determined using techniques like high-performance liquid chromatography (HPLC) or nuclear magnetic resonance (NMR) spectroscopy.

3. Applications

3.1 UV Absorber

2-hydroxy-4-methoxybenzophenone-5-sulfonic acid is commonly used as a UV absorber in various products, including sunscreens, cosmetics, and plastics. Its ability to absorb UV radiation helps protect the skin from harmful UV rays and prevents degradation of materials exposed to sunlight.

3.2 Antioxidant

The compound also exhibits antioxidant properties, making it useful in food and pharmaceutical applications. It can help prevent oxidation and spoilage of products, extending their shelf life.

3.3 Dye Intermediate

2-hydroxy-4-methoxybenzophenone-5-sulfonic acid serves as an intermediate in the synthesis of dyes and pigments. It contributes to the development of vibrant colors in textiles, inks, and paints.

4. Biological Activities

4.1 Antimicrobial Activity

Research has shown that 2-hydroxy-4-methoxybenzophenone-5-sulfonic acid possesses antimicrobial properties. It can inhibit the growth of bacteria, fungi, and viruses, making it a potential candidate for use in antimicrobial agents and preservatives.

4.2 Anticancer Activity

Some studies have suggested that the compound may have anticancer properties. Its ability to induce apoptosis (cell death) in cancer cells has been observed, although further research is needed to fully understand its potential as an anticancer agent.

4.3 Anti-inflammatory Activity

2-hydroxy-4-methoxybenzophenone-5-sulfonic acid has also been found to exhibit anti-inflammatory properties. It can reduce inflammation and alleviate symptoms associated with various inflammatory conditions.

5. Safety Considerations

5.1 Toxicity

The compound is considered to have low toxicity when used in appropriate concentrations. However, excessive exposure or ingestion can lead to adverse effects, including irritation, allergic reactions, and potential organ damage.

5.2 Regulatory Status

2-hydroxy-4-methoxybenzophenone-5-sulfonic acid is regulated by various agencies, including the Food and Drug Administration (FDA) and the European Medicines Agency (EMA). Its use in specific applications is subject to approval and compliance with safety standards.

5.3 Precautions

To ensure safety, it is essential to handle the compound with care, wearing appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coats. Proper ventilation and storage conditions should also be maintained.

6. Environmental Impact

6.1 Biodegradability

The biodegradability of 2-hydroxy-4-methoxybenzophenone-5-sulfonic acid is a concern due to its potential impact on the environment. Although the compound is biodegradable, its rate of degradation may vary depending on environmental conditions.

6.2 Aquatic Toxicity

The compound can be toxic to aquatic organisms, particularly at higher concentrations. It is important to minimize its release into water bodies to prevent harm to aquatic ecosystems.

6.3 Waste Management

Proper waste management is crucial to minimize the environmental impact of 2-hydroxy-4-methoxybenzophenone-5-sulfonic acid. Disposal methods should comply with local regulations and guidelines to prevent contamination of soil and water resources.

Conclusion

In conclusion, this in-depth study of CAS#4065-45-6, or 2-hydroxy-4-methoxybenzophenone-5-sulfonic acid, has provided a comprehensive understanding of its chemical properties, synthesis, applications, biological activities, safety considerations, and environmental impact. The compound's diverse applications and potential benefits make it a valuable compound in various industries. However, its safe use and proper waste management are crucial to ensure its positive impact on both human health and the environment.