Shaanxi BLOOM Tech Co., Ltd. is one of the most experienced manufacturers and suppliers of 1-tert-butyl 3-methyl 4-oxopiperidine-1,3-dicarboxylate cas 161491-24-3 in China. Welcome to wholesale bulk high quality 1-tert-butyl 3-methyl 4-oxopiperidine-1,3-dicarboxylate cas 161491-24-3 for sale here from our factory. Good service and reasonable price are available.
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Mar. 25th 2025
1-tert-Butyl 3-methyl 4-oxopiperidine-1,3-dicarboxylate is an organic compound, CAS 161491-24-3, with the chemical formula C11H17NO4. Usually presented as white or light yellow crystalline powder. It is easily soluble in organic solvents such as methanol and ethanol, but has a lower solubility in water. In peptide synthesis, it can be used as an analogue of amino acids to synthesize peptides with specific sequences. Due to its stable six membered ring structure, it can effectively simulate the formation of peptide bonds and improve the success rate of peptide synthesis. In the field of biological detection and analysis, it can serve as a marker or tracer for biomolecules, used to detect and analyze specific molecules or ions in biological samples. For example, it can bind to certain proteins or nucleic acids and be qualitatively and quantitatively analyzed through methods such as fluorescence detection or mass spectrometry.
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Chemical Formula |
C12H19NO5 |
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Exact Mass |
25 |
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Molecular Weight |
25 |
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m/z |
257 (100.0%), 258 (13.0%), 259 (1.0%) |
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Elemental Analysis |
C, 56.02; H, 7.44; N, 5.44; O, 31.09 |
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Morphological |
powder |
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Color |
powder |
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Melting point |
32-34 ° C |
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Boiling point |
350.0 ± 42.0 ° C (predicted) |
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Density |
1.175 ± 0.06 g / cm3 (predicted) |
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Storage conditions |
insert atmosphere |
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Acidity coefficient ( pKa ) |
11.06 ± 0.20 (predicted) |
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The application of 1-tert Butyl 3-methyl-4-oxopiperidine-1,3-dicarboxylate in peptide synthesis is quite important. As an analogue of amino acids, it can be used to synthesize peptides with specific sequences.
Intermediate for synthesizing peptides
It can be used as an intermediate in peptide synthesis to synthesize peptides with specific sequences. In peptide synthesis, the side chains and carboxyl groups of amino acids can be modified to alter their chemical properties and reactivity. The side chain methyl and carbonyl groups of 1-tert Butyl 3-methyl-4-oxopiperidine-1 3-dicarboxylate can be used to modify the structure and properties of peptides.
Improve peptide synthesis efficiency
It can serve as a protective group for peptide synthesis, improving the efficiency and selectivity of peptide synthesis. The selection and use of protective groups are crucial for controlling the reaction process and obtaining high-quality peptides in peptide synthesis. The protective properties of 1-tert Butyl 3-methyl-4-oxopiperidine-1 3-dicarboxylate can effectively protect the side chains and carboxyl groups of amino acids, avoiding unnecessary side reactions during the synthesis process.
Promote the folding and stability of peptides
It can serve as a modifier for peptide synthesis, promoting peptide folding and stability. The selection and use of modifiers are crucial for improving the biological activity and stability of peptides in peptide synthesis. The side chain methyl of 1-tert Butyl 3-methyl-4-oxopiperidine-1 3-dicarboxylate can provide additional steric hindrance, which helps maintain the natural conformation of the peptide, improve its stability and biological activity.
We can provide an overview of the uses of 1-Tert-Butyl-3-methyll-4-Oxopipirine-1,3-Dicarboxate ( 1-tert Butyl 3-methyl-4-oxopiperidine-1 3-dicarboxylate) based on its chemical structure and category.
- Chemical structure analysis
The structure of 1-tert Butyl 3-methyl-4-oxopiperidine-1 3-dicarboxylate contains one tert butyl group, one methyl group, one 4-piperidine ring, and two dicarboxylate groups. This structural characteristic may endow it with certain specific chemical properties and reactivity.
- Possible uses
Organic synthesis intermediates
1-tert Butyl 3-methyl-4-oxopiperidine-1 3-dicarboxylate is likely to serve as an important intermediate in organic synthesis for the synthesis of more complex organic compounds. The carboxylic ester group and piperidone ring in its structure are common functional groups in organic synthesis, which can be converted through various chemical reactions.
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Drug development
Although there is no direct evidence to suggest that 1-tert Butyl 3-methyl-4-oxopiperidine-1 3-dicarboxylate itself is a drug, its structural characteristics may be similar to certain drug molecules, making it a potential starting material or intermediate for drug development. Pharmaceutical chemists may develop new drugs with specific pharmacological activities by modifying and altering their structures.
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Materials Science
In the field of materials science, the specific structure and properties of 1-tert Butyl 3-methyl-4-oxopiperidine-1 3-dicarboxylate may enable it to play a role in the preparation of certain polymer materials, functional materials, or composite materials. For example, it can be used as a crosslinking agent, plasticizer, or modifier to improve the physical properties of materials or endow them with new functions.
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Biochemical research
Due to the presence of functional groups such as carboxylic acid ester groups and piperidone rings in 1-tert Butyl 3-methyl-4-oxopiperidine-1 3-dicarboxylate, these functional groups may have certain reactivity in vivo. Therefore, 1-tert Butyl 3-methyl-4-oxopiperidine-1 3-dicarboxylate may also be used in biochemical research as a model compound to simulate the behavior of biomolecules or explore the mechanisms of biochemical reactions.
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1-tert Butyl 3-methyl-4-oxopiperidine-1,3-dicarboxylate is a compound with important physiological activity, therefore its synthesis in the laboratory is of great significance.
Synthesis steps
(1) React tert Butyl alcohol with HCl to generate tert Butyl chloride.
CH3(CH3)CH2OH + HCl → CH3(CH3)CH2Cl + H2O
(2) React tert Butyl chloride with Ethyl bromoacetate to produce tert Butyl 3-bromo-4-oxopiperidine.
CH3(CH3)CH2Cl + C2H5BrOCOCH2Br → CH3(CH3)CH2CH(Br)COOCH2Br + HBr
(3) React tert Butyl 3-bromo-4-oxopiperidine with NaOH to produce tert Butyl 3-oxopiperidine.
CH3(CH3)CH2CH(Br)COOCH2Br + NaOH → CH3 (CH3)CH2COCH2CONa + NaBr + H2O
(4) React tert Butyl 3-oxopiperidine with Pyridine to produce tert Butyl 3,4-dioxopiperidine.
CH3 (CH3)CH2COCH2CONa + Py → CH3(CH3)CH2COCH2COPy + NaPy
(5) React tert Butyl 3,4-dioxopiperidine with H2O to produce 1-tert Butyl 3,4-dioxopiperidine chloride.
Advantages in peptide synthesis:
Good chemical stability
It has good chemical stability and can maintain its structural integrity during peptide synthesis. In peptide synthesis, the side chains and carboxyl groups of amino acids may be affected by reagents such as acids and bases, leading to side reactions. However, it has good stability and can resist the influence of these reagents, ensuring the smooth synthesis of peptides.
Easy to operate and purify
Easy to operate and purify in peptide synthesis. The selection and use of protective groups and modifiers are crucial for the operation and purification process in peptide synthesis. As a protective group and modifier, its properties make it easy to react with amino acids and other reagents, and it can also be removed from peptides through appropriate purification methods.
Provide additional side chain space hindrance
Due to the presence of 1,3-dicarbonyl groups, it has a certain steric hindrance effect, which helps to maintain the natural conformation of peptides, improve their stability and biological activity. In addition, it also provides a flexible and effective regulatory method to influence and alter the functional characteristics of proteins.
Therefore, this compound has broad application prospects in protein engineering and drug design.
- Future development direction
Although 1-tert Butyl 3-methyl-4-oxopiperidine-1,3-dicarboxylate has many advantages and application prospects in peptide synthesis, there are still many challenges that need to be addressed. Future research directions include:
1. Improve synthesis efficiency
Further optimize reaction conditions and steps to enhance the efficiency of 1-tert Butyl 3-methyl-4-oxopiperidine-1 3-dicarboxylate in peptide synthesis. This may involve developing new catalysts, improving reaction conditions, or optimizing strategies for peptide synthesis.
2. Exploring new applications
Applying 1-tert Butyl 3-methyl-4-oxopiperidine-1,3-dicarboxylate to other types of synthetic reactions, exploring its new applications in drug development, materials science, and other fields.
4-Oxo-piperidine-1,3-dicarboxylic acid 1-tert-butyl-3-methyl ester, an organic compound, exhibits certain chemical stability under normal conditions and can resist various external factors while maintaining the integrity of its molecular structure. However, under specific reaction conditions such as appropriate temperature, pressure, solvent, and catalyst, it can participate in various chemical reactions, such as ester exchange reactions and amidation reactions. These reactions not only expand the application fields of the compound, but also provide the possibility for synthesizing more complex and functionalized organic molecules.
Ester exchange reaction is an important reaction that can occur under specific conditions. Through ester exchange, the ester moiety in the compound can be exchanged with other ester compounds to generate new ester compounds. This reaction is of great significance in organic synthesis and can be used to synthesize organic molecules with specific structures and functions.
The amidation reaction is another important reaction in which this compound can participate. During the amidation process, the carboxyl group of the product can react with ammonia or amine compounds to form amide bonds. The amide bond is one of the common chemical bonds in biomolecules, so this reaction has broad application prospects in fields such as medicine and pesticides.
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