As a leading producer of Ethyl Butyryl Acetate (CAS 3249-68-1), we take pride in contributing to cutting-edge advancements in the chemical and pharmaceutical industries. Ethyl Butyryl Acetate plays a very important role in the synthesis of 6-Bromo-3-butyryl-2H-benzopyran-2-one.
Ethyl Butyryl Acetate (CAS 3249-68-1)
Ethyl Butyryl Acetate, with its CAS number 3249-68-1, stands out as a crucial compound in organic synthesis. This ester, derived from the combination of butyric acid and acetic acid, is recognized for its unique chemical properties and versatile applications.
Product Description
Name: Ethyl Butyryl Acetate;Butyrylacetic Acid Ethyl Ester;
Ethyl 3-Ketohexanoate;
Ethyl 3-Oxohexanoate;3-Ketohexanoic Acid Ethyl Ester
3-Keto-N-Hexanoic Acid Ethyl Ester;
3-OXOHEXANOIC ACID ETHYL ESTER;3-oxo-hexanoiciethylester
Ethyl alpha-butyrylacetate
Ethyl Butyroacetate
Molecular formula: C8H14O3
Properties: Colorless, transparent and clear liquid
Content (%) ≥98.0
Synthesis of 6-Bromo-3-butyryl-2H-benzopyran-2-one
The synthesis of 6-Bromo-3-butyryl-2H-benzopyran-2-one involves a series of chemical reactions starting from suitable precursors. While the exact synthetic route may vary depending on specific conditions and desired purity, the following is a generalized outline of the process:
Materials and Reagents:
Ethyl Butyryl Acetate (CAS 3249-68-1)
Bromine (Br2)
Sodium Hydroxide (NaOH)
Acetic Acid (CH3COOH)
Sulfuric Acid (H2SO4)
Ice/water bath
Separatory funnel
Rotary evaporator
Reaction vessels, stirring equipment, and other standard laboratory apparatus.
Synthetic Procedure:
Bromination of Ethyl Butyryl Acetate:
In a reaction vessel, add Ethyl Butyryl Acetate and bromine.
Stir the mixture at a controlled temperature (typically below room temperature) in an ice bath.
The bromination reaction introduces a bromine atom into the butyryl acetate structure.
Workup:
Add the reaction mixture to a separatory funnel and wash it with a sodium thiosulfate solution to neutralize excess bromine.
Extract the organic layer and wash it with water to remove impurities.
Hydrolysis:
Add the organic layer to a mixture of sodium hydroxide and water.
Stir the mixture, promoting the hydrolysis of the ester to the corresponding carboxylic acid and alcohol.
Acidification:
Adjust the pH of the reaction mixture to acidic conditions by adding acetic acid.
This step promotes the conversion of the carboxylic acid to the corresponding acetic acid ester.
Isolation of the Product:
Extract the desired product using a separatory funnel.
Wash the organic layer with water and dry it with anhydrous sodium sulfate.
Concentrate the solution using a rotary evaporator.
Purification:
Purify the crude product using column chromatography or other suitable purification techniques to obtain the pure 6-Bromo-3-butyryl-2H-benzopyran-2-one.
Characterization:
Confirm the identity and purity of the synthesized compound using spectroscopic techniques such as NMR, IR, and mass spectrometry.
It's important to note that the reaction conditions, reagent concentrations, and purification methods may need optimization based on specific laboratory requirements and the desired scale of synthesis. Additionally, safety precautions should be observed, especially when handling bromine and other hazardous reagents. This generalized procedure provides a starting point, and researchers should adapt it to their specific needs and conditions.
The process involves a carefully orchestrated series of chemical reactions, ensuring high purity and yield. This compound holds immense significance in the pharmaceutical sector, with potential applications in drug development and medicinal chemistry.
Applications of 6-Bromo-3-butyryl-2H-benzopyran-2-one
Pharmaceutical Industry
Intermediate in Drug Synthesis: 6-Bromo-3-butyryl-2H-benzopyran-2-one acts as a crucial intermediate in the synthesis of various pharmaceutical compounds.
Diversity in Drug Development: Its use contributes to the development of a broad spectrum of drugs, ranging from antibiotics to anticancer agents, based on the versatility of its structure.
Targeted Drug Modification: Researchers can modify the compound's structure to create derivatives with specific pharmacological properties, enhancing target specificity, efficacy, and safety.
Contribution to Drug Discovery: The compound's role in pharmaceutical synthesis facilitates the discovery of new drugs, providing medicinal chemists with a platform for creating innovative therapeutic solutions.
Medicinal Chemistry
Strategic Building Block: 6-Bromo-3-butyryl-2H-benzopyran-2-one serves as a strategic building block in medicinal chemistry, enabling researchers to design and synthesize novel therapeutic agents.
Diversity in Molecular Design: Medicinal chemists can manipulate the compound's structure to introduce various functional groups, creating a diverse library of molecules for screening and optimizing drug candidates.
Pharmacophore Development: The compound contributes to the development of pharmacophores, key structural elements responsible for a drug's interaction with its biological target.
Structure-Activity Relationship (SAR) Studies: Researchers utilize SAR studies to understand how different modifications to the compound's structure affect its biological activity, guiding the design of potent and selective drugs.
Chemical Research
Versatile Synthetic Tool: The unique structure and reactivity of 6-Bromo-3-butyryl-2H-benzopyran-2-one make it a versatile tool for scientists engaged in chemical research.
Exploration of Synthetic Pathways: Researchers use the compound to explore and develop new synthetic pathways, enhancing the synthetic toolbox available for organic chemists.
Investigation of Diverse Reactions: The compound's reactivity allows scientists to investigate diverse chemical reactions, contributing to the advancement of synthetic methodologies and the understanding of reaction mechanisms.
Catalyst Development: It may serve as a substrate for catalyst development, enabling the discovery of more efficient and sustainable chemical processes.
In summary, 6-Bromo-3-butyryl-2H-benzopyran-2-one plays a pivotal role in the pharmaceutical industry as an intermediate in drug synthesis, contributes to the strategic design of therapeutic agents in medicinal chemistry, and serves as a versatile tool for scientists engaged in chemical research, driving advancements in synthetic methodologies and diverse chemical reactions.
Quality Assurance
Our commitment to quality assurance is unwavering. We adhere to stringent production standards, ensuring that Ethyl Butyryl Acetate meets and exceeds industry specifications. The synthesis of 6-Bromo-3-butyryl-2H-benzopyran-2-one is executed with precision and care, guaranteeing the reliability and purity of the final product.
As a dedicated producer of Ethyl Butyryl Acetate, we recognize the critical role our product plays in advancing scientific research and industrial applications. The synthesis of 6-Bromo-3-butyryl-2H-benzopyran-2-one exemplifies the versatility and impact of Ethyl Butyryl Acetate in driving innovation across multiple domains. We remain committed to delivering high-quality products that contribute to the success of our customers and the broader scientific community.
FAQ
1. What is Ethyl Butyryl Acetate (CAS 3249-68-1)?
Ethyl Butyryl Acetate is an ester with the Chemical Abstracts Service (CAS) number 3249-68-1. It is derived from the combination of butyric acid and acetic acid, exhibiting a colorless liquid state with a fruity aroma.
2. How is Ethyl Butyryl Acetate used in the synthesis of 6-Bromo-3-butyryl-2H-benzopyran-2-one?
Ethyl Butyryl Acetate serves as a starting material in the synthesis of 6-Bromo-3-butyryl-2H-benzopyran-2-one. It undergoes a series of chemical reactions, including bromination, hydrolysis, and acidification, to yield the desired intermediate.
3. What is the significance of Ethyl Butyryl Acetate in the pharmaceutical industry?
Ethyl Butyryl Acetate is a versatile compound that acts as a key intermediate in the production of pharmaceuticals. Its role contributes to advancements in drug discovery and development by providing a crucial building block for the synthesis of various therapeutic agents.
4. Can Ethyl Butyryl Acetate be used in other chemical applications?
Yes, apart from its role in pharmaceutical synthesis, Ethyl Butyryl Acetate can find applications in various chemical processes. Its unique structure and reactivity make it a valuable tool for researchers exploring new synthetic pathways and investigating diverse chemical reactions.
5. What safety precautions should be taken when working with Ethyl Butyryl Acetate?
When handling Ethyl Butyryl Acetate, it is essential to follow standard laboratory safety protocols. This includes wearing appropriate personal protective equipment (PPE) such as gloves and safety glasses, working in a well-ventilated area, and understanding the chemical's properties and hazards.
6. How is the quality of Ethyl Butyryl Acetate assured during production?
Quality assurance measures are implemented during the production of Ethyl Butyryl Acetate to ensure adherence to industry standards. Stringent testing and quality control processes are employed to guarantee the purity and reliability of the final product.
7. Can Ethyl Butyryl Acetate be modified for specific applications in pharmaceuticals?
Yes, the compound can be modified to create derivatives with specific pharmacological properties. Medicinal chemists can tailor its structure to enhance target specificity, efficacy, and safety, contributing to the development of novel pharmaceuticals.
8. Are there any specific storage requirements for Ethyl Butyryl Acetate?
Ethyl Butyryl Acetate should be stored in a cool, dry place, away from direct sunlight and sources of heat. Proper storage conditions help maintain the stability and quality of the compound over time.
9. How is the synthesized 6-Bromo-3-butyryl-2H-benzopyran-2-one characterized and verified?
The synthesized compound undergoes characterization using spectroscopic techniques such as NMR, IR, and mass spectrometry. These methods confirm the identity and purity of 6-Bromo-3-butyryl-2H-benzopyran-2-one, ensuring it meets the required specifications.
10. Is Ethyl Butyryl Acetate produced in compliance with environmental and safety standards?
Yes, responsible production practices are followed to ensure compliance with environmental regulations and safety standards. Ethyl Butyryl Acetate production prioritizes the safety of workers, adherence to environmental protocols, and sustainable manufacturing practices.