3 6 Dihydro 2h Pyridine 1 N Boc 4 Boronic Acid Pinacol Ester
pyridine pyrrole pyrazine piperidine piperazine

3,6-Dihydro-2H-pyridine-1-N-Boc-4-boronic acid pinacol ester

    Specifications

    HS Code

    524782

    Chemical Formula C17H30BNO5
    Molecular Weight 337.24
    Appearance Typically a solid
    Melting Point Data may vary by purity and measurement method
    Solubility Soluble in some organic solvents like dichloromethane, less soluble in water
    Density Data may be specific to experimental determination
    Pka Relevant to its acidic - basic properties in solution, specific value depends on environment
    Stability Stable under normal storage conditions, may react with strong oxidizing or reducing agents
    Reactivity Can participate in cross - coupling reactions due to the boronic acid pinacol ester group

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    General Information
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    What is the chemical structure of 3,6-dihydro-2H-pyridine-1-N-Boc-4-boronic acid pinacol ester?
    The name "3,6-dihydro-2H-pyran-1-N-Boc-4-carboxylethyl propyl ester" is one of the organic compounds. The structure of this compound is quite complex and has unique chemical properties.
    This compound is based on the pyran ring. 2H-pyran indicates the specific unsaturated state of the pyran ring and the position of the hydrogen atom. 3,6-dihydro indicates that there is a hydrogen atom attached to the carbon atom at the 3rd and 6th positions, and this dihydrogen state affects the stability and reactivity of the compound. < Br >
    1-N-Boc part, which means that tert-butoxycarbonyl (Boc) is connected to the nitrogen atom at the first position of the pyran ring. The Boc group is often used as a protective group for amino groups in organic synthesis. Its existence can protect the nitrogen atom from unnecessary reactions under specific reaction conditions, and can be easily removed when needed.
    And 4-carboxylic acid propargyl ester, indicating that there is a carboxylic acid propargyl group attached to the fourth carbon atom of the pyran ring. This group is composed of the ester structure formed by carboxylic acid and propargyl alcohol. The propargyl ester part contains carbon-carbon triple bonds, which endows the compound with special reactivity and can participate in a variety of organic reactions, such as click chemistry. The carboxylic acid part is also acidic and can participate in various reactions such as esterification.
    In summary, this compound consists of a pyran ring as the core, with specific groups such as N-Boc and propargyl carboxylate. These structural elements together determine its unique chemical properties and reactivity, and may have important application value in the fields of organic synthesis and pharmaceutical chemistry.
    What are the main uses of 3,6-dihydro-2H-pyridine-1-N-Boc-4-boronic acid pinacol ester?
    3% 2C6-diamino-2H-pyran-1-N-Boc-4-carboxylic acid methyl ester is an important organic synthesis intermediate and has a wide range of uses in organic synthesis and medicinal chemistry.
    First, in the total synthesis of complex natural products, it is a key structural unit that can help build the core skeleton of natural products. Due to its structural characteristics, other fragments can be precisely spliced through multi-step reactions to achieve total synthesis of natural products. For example, in the synthesis of a certain type of alkaloid, the intermediate is connected to nitrogen-containing heterocyclic fragments through specific reaction steps to gradually build a complex structure of alkaloids, providing a material basis for the research and development of natural products.
    Second, in the field of drug research and development, it is often an important raw material for the optimization of drug lead compounds. Because it contains active groups such as amino groups and ester groups, it can be modified to improve drug activity, selectivity and pharmacokinetic properties. For example, when developing an anti-cancer drug, its structure is modified to change the ester group or amino substituent group to optimize the binding ability of the drug to the target and improve the anti-cancer effect.
    Third, in materials science, it can participate in the preparation of functional polymers. Using amino groups to react with other monomers to form polymer materials with special properties, such as preparing functional polymers that have the ability to recognize specific substances, used in chemical sensor materials to achieve efficient detection and identification of specific substances.
    What are the synthesis methods of 3,6-dihydro-2H-pyridine-1-N-Boc-4-boronic acid pinacol ester?
    To prepare 3,6-dihydro-2H-pyran-1-N-Boc-4-carboxylic acid ethyl ester, the method is as follows:
    Starting from suitable starting materials, pyran-containing ring precursors and Boc-protecting groups and ethyl ester-related reagents can often be used. For example, starting with an unsaturated cyclic compound with suitable substituents, the target structure is constructed through a multi-step reaction.
    One method is to first take a cyclic substrate with an active double bond and perform an addition reaction with a nucleophilic reagent containing a Boc-protecting group under mild conditions. This addition requires the selection of a suitable catalyst, such as some metal complex catalysts, to promote the efficient and regioselectivity of the reaction, so that the Boc group is attached to a specific nitrogen atom in the pyran ring.
    Then, the double bond on the ring is hydrogenated. A suitable hydrogenation catalyst, such as a palladium-carbon catalyst, can be selected under a hydrogen atmosphere, and the appropriate temperature and pressure are adjusted to form a 3,6-dihydro structure of the double bond hydrogenation.
    Furthermore, in a suitable reaction system, an ethyl ester group is introduced. Ethyl ester groups are often attached to the 4-position of the pyran ring under alkali-catalyzed conditions through nucleophilic substitution or similar reaction mechanisms to form 3,6-dihydro-2H-pyran-1-N-Boc-4-carboxylic acid ethyl ester.
    During the reaction process, careful monitoring is required at each step, and analysis methods such as thin-layer chromatography and nuclear magnetic resonance are used to determine the reaction progress and product purity. And the reaction conditions of each step need to be carefully controlled, including temperature, reaction time, reagent dosage, etc., to obtain the target product with higher yield and purity.
    What are the physicochemical properties of 3,6-dihydro-2H-pyridine-1-N-Boc-4-boronic acid pinacol ester?
    3% 2C6-diamino-2H-pyran-1-N-Boc-4-carboxylic acid ethyl ester is an organic compound with unique physical and chemical properties.
    Viewed, this substance is often white to off-white solid, which is one of the appearance characteristics. When it comes to solubility, it has a good solubility in common organic solvents such as dichloromethane, N, N-dimethylformamide, but it has poor solubility in water, which is its solubility characteristic.
    Its melting point is quite important, generally in a specific temperature range, which can be accurately determined by experiments. This temperature is of great significance for the identification and purification of this substance.
    In terms of chemical properties, its molecular structure contains amino groups, ester groups and protected pyran rings and other functional groups. Amino groups have certain alkalinity and can react with acids to form salts; ester groups can undergo reactions such as hydrolysis and alcoholysis under specific conditions. The structure of the protected pyran ring is relatively stable, but under the action of suitable reagents and conditions, the protective group can be removed, and then the pyran ring can participate in subsequent reactions.
    In addition, its stability also needs to be considered. Under normal environmental conditions, if properly preserved, it can maintain stability for a certain period of time. However, under extreme conditions such as high temperature, strong acid, and strong base, the molecular structure may change, triggering chemical reactions and causing changes in the properties of substances. Knowledge of various physical and chemical properties is of great guiding value in the synthesis, separation, purification and application of this substance.
    What are the precautions for storing and transporting 3,6-dihydro-2H-pyridine-1-N-Boc-4-boronic acid pinacol ester?
    3% 2C6-dihydro-2H-pyran-1-N-Boc-4-carboxylate compounds should pay attention to the following things during storage and transportation:
    First, temperature control. This compound is quite sensitive to temperature, and high temperature can easily cause it to decompose or deteriorate. Therefore, storage should be in a cool and dry place, and the temperature is usually controlled at 2-8 ° C. If the weather is very hot during transportation, refrigeration equipment should be used to ensure that the temperature is suitable to prevent it from becoming unstable due to excessive temperature.
    Second, humidity prevention. Humidity will also affect the stability of the compound, and high humidity environments may cause it to absorb moisture and hydrolyze. When storing, it should be placed in a sealed container, and a desiccant should be added to maintain dryness. When transporting, it should also ensure that the packaging is tight and protected from external moisture.
    Third, avoid light. The compound may be sensitive to light, and light or luminescent chemical reactions may cause its structure to change. Storage and transportation should be protected from light. Brown bottles or light-shielding packaging materials can be used to prevent direct light.
    Fourth, the packaging is solid. The packaging used for storage and transportation must be strong to prevent the compound from being damaged due to collision and vibration during handling, and then leaking. The packaging material must also be compatible with the compound and do not react with it.
    Fifth, the clear logo. The name, properties, and hazard warnings of the compound should be clearly marked on the outside of the package, so that the operator can understand its characteristics and take appropriate protective measures during storage and transportation. If the compound has toxic, corrosive, and other dangerous properties, a clear warning is required.