Best Price in Stock Methyl 2-Bromo-2-Methylpropionaten- (tert-Butoxycarbonyl) -4-Piperidone

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3-Methyl-4-Piperidone is an organic compound with CAS 5773-58-0 and molecular formula C6H11NO. It is a colorless to light yellow liquid that is prone to oxidation in the air. Has an unpleasant and irritating odor. It can dissolve in organic solvents such as alcohols, ketones, and esters. However, it has a lower solubility in water. It is a compound with an unsaturated nitrogen heterocycle that is prone to addition and cyclization reactions. It is sensitive to alkali and is prone to hydrolysis reactions under strong acid or alkaline conditions.

In addition, it also has low stability and may deteriorate when exposed to air for a long time. It is an important intermediate in organic synthesis, mainly used to synthesize compounds with specific physiological activities, such as drugs, pesticides, and spices. It is also a structural analogue of some alkaloids and bioactive compounds, which can be used to study the structure and functional relationships of biomolecules. In addition, it can also be used as a solvent to improve reaction efficiency in synthesis reactions.

(I) The accurate information of chemical compound below: Chemical Formula: C6H11NO, Exact Mass: 113.08, Molecular Weight: 113.16, m/z: 113.08 (100.0%), 114.09 (6.5%), Elemental Analysis: C, 63.69; H, 9.80; N, 12.38; O, 14.14

(II) Quality information: please refer to our enterprise standard or COA. If you have any question, welcome to contact our salesman.

Additional information of chemical compound: Boiling point 50-51 °C(Press: 2 Torr), Density 0.951 + / - 0.06 g/cm3 (Predicted), Storage conditions Keep in dark place, Inert atmosphere,2-8°C, Acidity coefficient (pKa) 8.98±0.40 (Predicted).

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The application of 3-METHYL-4-PIPERIDONE in chemical sensors is an emerging field that mainly involves manufacturing sensors by utilizing its unique molecular structure to respond and change to specific targets or stimuli.

The basic principle of chemical sensors
A chemical sensor is a type of sensor that can detect specific chemical substances. It can convert chemical information into electrical or optical signals, thereby achieving rapid and accurate detection of chemical substances. Chemical sensors typically consist of recognition elements and conversion elements, with recognition elements being a critical component that can identify target substances and generate corresponding responses. 

Gas Sensor:
A gas sensor is a type of sensor that can detect specific gases in the air, such as alcohol, ammonia, carbon monoxide, etc. It can be used as a sensitive material for gas sensors to respond to specific gases by altering its molecular structure. For example, when encountering alcohol gas, the molecular structure will change, causing a change in its resistance value, thereby achieving the detection of alcohol gas.

Ion Sensor:An ion sensor is a sensor that can detect specific ions in a solution. It can be used as a sensitive material for ion sensors to generate a response by complexing with specific ions. For example, when encountering copper ions, a complexation reaction occurs with them, causing a change in their resistance value, thereby achieving the detection of copper ions.

Biosensors: Biosensors are sensors that can detect biomolecules or cells. It can serve as a sensitive material for biosensors, generating responses by reacting specifically with specific biomolecules or cells. For example, when encountering a specific protein or nucleic acid, it will bind specifically to it, causing a change in its resistance value, thereby achieving detection of the protein or nucleic acid.

Reaction conditions and catalysts

During the synthesis process, it is necessary to control certain reaction conditions and catalysts. Specifically, during the synthesis process, it is necessary to select appropriate catalysts (such as acidic catalysts), control appropriate conditions such as temperature, pressure, and solvent to ensure the smooth progress of the reaction and the selective generation of products.

Potential toxicity mechanism speculation

The impact on biomolecules

3-methyl-4-piperidinone may alter its structure and function by binding to biomolecules such as proteins and nucleic acids. For example, it may react with amino acid residues of proteins, leading to protein denaturation or inactivation, affecting the normal metabolism and function of cells. Binding with nucleic acids may interfere with gene expression and replication, resulting in adverse effects on the transmission of genetic information in cells.

Oxidative stress response

The oxidative nature of this compound may trigger oxidative stress reactions within cells. Under normal circumstances, there is an antioxidant system within cells to maintain redox balance. When 3-methyl-4-piperidone enters cells, it may produce excessive reactive oxygen species (ROS) such as superoxide anions and hydrogen peroxide. These reactive oxygen species attack lipids, proteins, and nucleic acids within cells, leading to cell damage and death.

Affects cellular signaling pathways

3-methyl-4-piperidone may interfere with intracellular signaling pathways. Cells respond to external stimuli and regulate their physiological functions through a series of complex signaling processes. This compound may bind to signaling molecules or receptors, block or activate specific signaling pathways, thereby affecting cell proliferation, differentiation, apoptosis and other processes, and thus have adverse effects on the function of tissues and organs.

Adverse effects based on animal experiments

Experimental Design and Methods

In acute toxicity experiments, different doses of it  are usually administered orally or by injection to experimental animals (such as mice, rats, etc.) to observe their toxic symptoms and mortality over a certain period of time. Evaluate the acute toxicity of the compound by calculating the median lethal dose (LD50).

Possible poisoning symptoms

Based on the acute toxicity of similar chemicals, 3-methyl-4-piperidinone may cause neurological symptoms such as excitement, tremors, seizures, etc. in experimental animals. This is because the compound may have a stimulating effect on the central nervous system, interfering with the normal transmission of neurotransmitters. 

Subchronic or chronic toxicity experiments

Possible side effects

May cause hematological abnormalities such as anemia, decreased or increased white blood cells in experimental animals. This is because the compound may affect the hematopoietic function of the bone marrow, interfering with the generation and maturation of blood cells.The liver and kidneys are important metabolic and excretory organs in the body.This may be metabolized in the liver, producing some toxic metabolites that can cause damage to liver cells and lead to abnormal liver function, such as elevated transaminase and bilirubin levels.

Possible side effects

Long term exposure to 3-methyl-4-piperidone may affect the reproductive function of experimental animals. For male animals, it may lead to a decrease in sperm count, reduced vitality, or abnormal development of reproductive organs; For female animals, it may affect ovarian function, menstrual cycle, or embryonic development, leading to decreased fertility or abnormal offspring development. This compound may inhibit the immune function of experimental animals, reducing their resistance to pathogens and making them susceptible to infection. 

Comparison of Side Effects with Similar Chemical Substances

Side effects of structurally similar chemicals

Some chemical substances with structures similar to 3-methyl-4-piperidinone, such as other pyridine derivatives, also have certain toxicity. For example, some piperidine drugs may have some side effects in clinical application, such as central nervous system symptoms such as dizziness, headache, drowsiness, dry mouth, as well as gastrointestinal symptoms such as nausea, vomiting, and indigestion. These side effects may be related to the chemical properties of the pyridine ring, which may affect the distribution, metabolism, and interaction with receptors of these compounds in the body, leading to a series of adverse reactions.

Common side effects of ketone compounds

Ketone compounds usually have certain oxidizing and reactive properties. Some ketone substances may cause skin irritation, allergic reactions such as rash, itching, redness and swelling, as well as respiratory irritation symptoms such as coughing and wheezing when in contact with the skin or inhaled. In the body, ketone compounds may participate in metabolic reactions, affecting the body's energy metabolism and material balance, leading to abnormalities in indicators such as blood sugar and blood lipids.

FAQ

• Is 4-piperidone illegal?

DEA proposed control of 4-piperidone due to its use in clandestine laboratories to illicitly manufacture the schedule II controlled substance fentanyl. This rulemaking finalizes the control of 4-piperidone as a list I chemical.

• What is 4-piperidone used for?

4-Piperidone is used as an intermediate in the manufacture of chemicals and pharmaceutical drugs. Substituted and dehydro derivatives of 4-piperidinone are intermediates in alkaloid syntheses. Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).

• What are the main applications of this?

3-Methyl-4-Piperidone is widely used as a key pharmaceutical intermediate, mainly for the synthesis of alkaloid compounds, neuroactive drugs, and various heterocyclic drug molecules. It also serves as an important building block in organic synthesis for constructing piperidine-containing active structures.

• What are the typical physicochemical properties of it?

It is a colorless to pale yellow liquid or low-melting solid with good solubility in common organic solvents such as alcohols, ethers, and dichloromethane. It exhibits typical ketone reactivity and is stable under conventional storage conditions when protected from moisture and strong oxidants.

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