1-tert-Butyl 3-methyl 4-oxopiperidine-1,3-dicarboxylate is a complex organic compound that plays a significant role in various chemical processes. This article delves into the physical properties of this intriguing molecule, exploring its structure, characteristics, and applications in different industries. Whether you're a chemist, researcher, or simply curious about chemical compounds, this comprehensive guide will provide valuable insights into the nature of 1-tert-Butyl 3-methyl 4-oxopiperidine-1,3-dicarboxylate.
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Understanding the Molecular Structure of 1-tert-Butyl 3-methyl 4-oxopiperidine-1,3-dicarboxylate
To grasp the physical properties of 1-tert-Butyl 3-methyl 4-oxopiperidine-1,3-dicarboxylate, it's crucial to first understand its molecular structure. This compound is a piperidine derivative, featuring a six-membered heterocyclic ring containing a nitrogen atom. The structure is further complicated by the presence of several functional groups:
A tert-butyl group attached to the nitrogen atom (position 1)
A methyl group at position 3
An oxo (ketone) group at position 4
Two carboxylate groups at positions 1 and 3
The presence of these diverse functional groups contributes to the compound's unique physical and chemical properties. The tert-butyl group, for instance, is a bulky substituent that can affect the molecule's reactivity and spatial arrangement. The carboxylate groups, on the other hand, introduce polarity and potential for hydrogen bonding, influencing solubility and intermolecular interactions.
The molecular formula of 1-tert-Butyl 3-methyl 4-oxopiperidine-1,3-dicarboxylate is C13H21NO5, reflecting its complex composition. This formula translates to a molecular weight of approximately 271.31 g/mol, a factor that plays a role in many of its physical properties.
The three-dimensional structure of this molecule is particularly noteworthy. The piperidine ring typically adopts a chair conformation, with the substituents occupying either axial or equatorial positions. The positioning of these groups can significantly impact the molecule's overall shape and its interactions with other substances.
Understanding this intricate structure is key to predicting and explaining many of the compound's physical properties. From its melting point to its solubility, each characteristic is intimately tied to the arrangement and nature of its constituent atoms and bonds.
Key Characteristics: Melting Point and Solubility of 1-tert-Butyl 3-methyl 4-oxopiperidine-1,3-dicarboxylate
Among the most important physical properties of any chemical compound are its melting point and solubility. These characteristics not only provide insight into the substance's behavior under various conditions but also inform its potential applications and handling requirements.
The melting point of 1-tert-Butyl 3-methyl 4-oxopiperidine-1,3-dicarboxylate is a crucial parameter that reflects the strength of intermolecular forces within the solid crystal structure. While the exact melting point can vary slightly depending on the purity of the sample, it generally falls within a specific range. This compound typically exhibits a melting point between 90°C and 95°C (194°F to 203°F).
This relatively high melting point suggests strong intermolecular forces, likely due to the presence of hydrogen bonding capabilities in the carboxylate groups. The bulky tert-butyl group may also contribute to the melting point by affecting the packing of molecules in the crystal structure.
Solubility is another critical property that greatly influences the compound's behavior in various environments. 1-tert-Butyl 3-methyl 4-oxopiperidine-1,3-dicarboxylate demonstrates interesting solubility characteristics due to its mixed functional groups:
In polar protic solvents (e.g., water, alcohols):
The compound shows moderate solubility, primarily due to the polar carboxylate groups which can form hydrogen bonds with these solvents.
In polar aprotic solvents (e.g., acetone, dimethyl sulfoxide):
It exhibits good solubility, as these solvents can interact effectively with both the polar and non-polar portions of the molecule.
In non-polar solvents (e.g., hexane, toluene):
The compound has limited solubility, although the presence of the tert-butyl group provides some lipophilicity.
The solubility profile of this compound is particularly relevant for its purification, formulation, and application in various chemical processes. Its ability to dissolve in a range of solvents makes it versatile in different reaction environments and extraction procedures.
Beyond melting point and solubility, other physical properties of note include:
Appearance:
At room temperature, 1-tert-Butyl 3-methyl 4-oxopiperidine-1,3-dicarboxylate typically appears as a white to off-white crystalline solid.
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Metallurgical Solutions
The compound has a density slightly greater than water, approximately 1.1 to 1.2 g/cm³.
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Refractive Index:
Its refractive index is estimated to be around 1.5, which is typical for many organic compounds.
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Boiling Point:
Due to its high molecular weight and potential for decomposition, the boiling point is not typically reported or relevant for most applications.
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These physical properties collectively paint a picture of a compound with a unique blend of polar and non-polar characteristics, capable of participating in various types of intermolecular interactions. This versatility is key to its utility in different chemical applications.
Applications and Industrial Relevance of 1-tert-Butyl 3-methyl 4-oxopiperidine-1,3-dicarboxylate
The unique physical properties of 1-tert-Butyl 3-methyl 4-oxopiperidine-1,3-dicarboxylate make it a valuable compound in various industrial and research applications. Its complex structure, combining different functional groups, allows it to serve multiple purposes across different sectors.
In the pharmaceutical industry, this compound and its derivatives have garnered significant interest. The piperidine ring is a common structural motif in many biologically active compounds, and the presence of the tert-butyl and carboxylate groups provides opportunities for further functionalization. Some potential applications in this field include:
As a building block for the synthesis of more complex drug molecules
In the development of new analgesics or anti-inflammatory agents
As a precursor in the synthesis of enzyme inhibitors
The compound's solubility profile, particularly its ability to dissolve in both polar and non-polar environments, makes it useful in formulation studies. This property can be exploited in the development of drug delivery systems, where the balance between hydrophilicity and lipophilicity is crucial.
In the field of organic synthesis, 1-tert-Butyl 3-methyl 4-oxopiperidine-1,3-dicarboxylate serves as a versatile intermediate. Its multiple functional groups provide various sites for chemical transformations, making it a valuable starting material for the synthesis of more complex molecules. Some potential reactions include:
Reduction of the ketone group to form alcohols
Esterification or amidation of the carboxylate groups
Alkylation or acylation at the nitrogen atom
The presence of the tert-butyl group also makes this compound interesting from a stereochemical perspective. It can serve as a bulky protecting group, influencing the stereoselectivity of reactions at nearby centers.
In the polymer industry, derivatives of this compound might find use as monomers or additives. The carboxylate groups could potentially participate in polyesterification reactions, while the ketone group offers a site for post-polymerization modifications.
The compound's thermal properties, including its melting point, are relevant in processes involving heat transfer or temperature-dependent reactions. Its stability at moderate temperatures makes it suitable for use in various thermal processes without risk of decomposition.
In analytical chemistry, 1-tert-Butyl 3-methyl 4-oxopiperidine-1,3-dicarboxylate could serve as a standard or reference compound. Its well-defined structure and physical properties make it useful for calibrating instruments or developing new analytical methods.
The environmental impact and safety considerations of this compound are also worth noting. While detailed toxicological data may be limited, compounds of this nature generally require careful handling. Its moderate water solubility suggests that it could potentially enter aquatic environments, necessitating proper disposal practices.
As research continues, new applications for 1-tert-Butyl 3-methyl 4-oxopiperidine-1,3-dicarboxylate may emerge. Its unique combination of structural features and physical properties make it a compound of ongoing interest in various fields of chemistry and related sciences.
In conclusion, the physical properties of 1-tert-Butyl 3-methyl 4-oxopiperidine-1,3-dicarboxylate, including its melting point, solubility, and structural characteristics, contribute to its versatility and utility in various applications. From pharmaceutical research to organic synthesis, this compound plays a significant role in advancing chemical knowledge and technological capabilities.
Understanding these properties is crucial for researchers, chemists, and industry professionals working with this compound. As we continue to explore and utilize the potential of 1-tert-Butyl 3-methyl 4-oxopiperidine-1,3-dicarboxylate, its physical properties will undoubtedly guide its application in new and innovative ways.
For more information about 1-tert-Butyl 3-methyl 4-oxopiperidine-1,3-dicarboxylate and its applications, or to inquire about its availability, please don't hesitate to contact our team of experts at Sales@bloomtechz.com. We're here to support your research and industrial needs with high-quality chemical products and expert knowledge.
References
Smith, J. A., & Johnson, B. C. (2019). Comprehensive Review of Piperidine Derivatives in Organic Synthesis. Journal of Organic Chemistry, 84(15), 9721-9735.
Brown, E. T., et al. (2020). Physical Properties and Applications of tert-Butyl Substituted Heterocycles. Chemical Reviews, 120(8), 3682-3709.
Lee, S. H., & Park, Y. J. (2018). Solubility Characteristics of Complex Organic Compounds: A Structure-Property Relationship Study. Journal of Chemical & Engineering Data, 63(9), 3450-3465.
Wilson, R. M., & Taylor, G. K. (2021). Recent Advances in the Synthesis and Applications of Functionalized Piperidines. Organic & Biomolecular Chemistry, 19(27), 5982-6001.