3 Difluoromethyl 1 Methyl 1 H Pyrazole 4 Carbonyl Chloride
Fluorine Difluoride Fluorobenzene Fluorobenzyl Trifluorotoluene
3-(difluoromethyl)-1-methyl-1 H-pyrazole-4-carbonyl chloride
Chemical Formula C6H6ClF2N2O
Molecular Weight 194.577
Appearance Typically a solid (physical state may vary based on conditions)
Solubility Limited solubility in water, more soluble in organic solvents like dichloromethane due to its organic nature
Vapor Pressure Low vapor pressure as it is likely a solid at room temperature
Stability Stable under normal conditions, but reactive towards nucleophiles due to the presence of the carbonyl chloride group
Chemical Formula C6H6ClF2N2O
Molecular Weight 194.576 g/mol
Appearance Typically a colorless to pale - yellow liquid
Boiling Point Estimated around 220 - 230 °C under normal pressure
Solubility Soluble in common organic solvents like dichloromethane, chloroform
Density Approximately 1.4 - 1.5 g/cm³
Flash Point Probably in the range of 90 - 100 °C
Purity Can be synthesized to high purity, e.g., 95%+
Reactivity Reactive towards nucleophiles due to the presence of the carbonyl chloride group
Chemical Formula C6H6ClF2N2O
Molecular Weight 196.577 g/mol
Appearance Typically a colorless to light - yellow liquid or solid
Solubility Soluble in many organic solvents like dichloromethane, chloroform due to its organic nature
Vapor Pressure Low vapor pressure as it is a relatively heavy organic compound with polar and non - volatile functional groups
Reactivity Highly reactive towards nucleophiles due to the presence of the carbonyl chloride group which can undergo hydrolysis, aminolysis, etc.
Chemical Formula C6H6ClF2N2O
Molar Mass 194.577 g/mol
Appearance Typically a solid (physical state may vary based on conditions)
Melting Point Unknown (specific data required from literature for exact value)
Solubility In Water Expected to be low as it contains non - polar fluoromethyl and methyl groups along with a reactive carbonyl chloride group
Solubility In Organic Solvents Likely soluble in common organic solvents like dichloromethane, chloroform due to its organic nature
Density No specific density data available without experimental determination
Vapor Pressure Low vapor pressure as it is likely a solid at room temperature
Reactivity Highly reactive due to the presence of the carbonyl chloride group which can undergo reactions like hydrolysis, nucleophilic acyl substitution
FAQ

What is the main use of 3- (difluoromethyl) -1-methyl-1+H-pyrazole-4-carbonyl chloride?

3- (difluoromethyl) -1-methyl-1H-pyrazole-4-carbonyl chloride, an organic compound. It has a wide range of uses and is often used as a key intermediate in the field of organic synthesis.

The art of organic synthesis depends on the construction of complex molecular structures for many delicate reactions. Take the construction of compounds containing pyrazole rings as an example. Its carbonyl chloride functional group has high reactivity and can react with various nucleophiles, such as alcohols and amines. When it encounters alcohols, it can give rise to esters, which are useful in flavors, drugs and other fields. If it meets amines, amides can be produced. Amids also play an important role in the field of bioactive molecules and materials science.

In the world of medicinal chemistry, this compound can be used as the building block of lead compounds. The pyrazole ring structure is commonly found in many bioactive molecules. By modifying and derivatizing it, it is expected to create new drug molecules to deal with various disease challenges.

In the field of materials science, compounds derived from it may have unique physical and chemical properties, or can be used to prepare materials with special properties, such as optoelectronic materials, which contribute to the development of materials science.

Overall, 3- (difluoromethyl) -1-methyl-1H-pyrazole-4-carbonyl chloride plays an indispensable role in many fields such as organic synthesis, medicinal chemistry, and materials science, promoting the continuous progress and development of various fields.

What are the synthesis methods of 3- (difluoromethyl) -1-methyl-1+H-pyrazole-4-carbonyl chloride

The synthesis method of 3- (difluoromethyl) -1 -methyl-1H-pyrazole-4-formyl chloride has been studied by many parties throughout the ages. One common method is to use a compound containing pyrazole structure as the starting material and introduce difluoromethyl and formyl chloride groups through a specific reaction.

First take a suitable pyrazole derivative and add an appropriate organic solvent, such as dichloromethane, N, N-dimethylformamide, etc., in a specific reaction vessel to create a suitable reaction environment. Then, slowly add reagents that can introduce difluoromethyl, such as difluoromethylation reagents. This process requires strict control of the reaction temperature and time to prevent side reactions from occurring. After the successful introduction of difluoromethyl, reagents that can convert the pyrazole-4-position into formyl chloride are added, such as thionyl chloride, oxalyl chloride, etc. This step also requires precise regulation of reaction conditions, such as temperature, reaction time, and the proportion of reactants.

The second method is to prepare the target product by constructing a pyrazole ring. First select the appropriate raw materials, construct the pyrazole ring through multi-step reaction, and ingeniously design the reaction steps. In the process of constructing the pyrazole ring, difluoromethyl and 1-methyl groups are introduced simultaneously. After the pyrazole ring is constructed, a formyl chloride group is introduced at the pyrazole-4-position through a specific reaction. This process requires careful planning of each step of the reaction, and the control of the reaction conditions is also crucial. From the purity of the reactants, the choice of solvents, to the regulation of reaction temperature and pressure, the yield and purity of the final product will be affected.

Third, the reaction path catalyzed by transition metals can be used. Transition metal catalysts, such as complexes of metals such as palladium and copper, are used to catalyze the reaction of specific substrates to achieve the precise introduction of difluoromethyl, 1-methyl and formyl chloride groups on the pyrazole ring. Although this method has the advantages of high efficiency and good selectivity, the requirements for reaction conditions and catalysts are quite high, and the cost of catalysts is relatively high. In practical application, comprehensive consideration of costs and benefits is required. In short, the synthesis of 3- (difluoromethyl) -1-methyl-1H-pyrazole-4-formyl chloride is diverse, each has its own advantages and disadvantages, and needs to be carefully selected according to actual needs and conditions.

What are the physicochemical properties of 3- (difluoromethyl) -1-methyl-1+H-pyrazole-4-carbonyl chloride?

3- (difluoromethyl) -1-methyl-1H-pyrazole-4-formyl chloride is an important compound in organic chemistry. Its physical and chemical properties are unique and have key uses in many fields such as chemical industry and medicine.

In terms of its physical properties, under normal conditions, 3- (difluoromethyl) -1-methyl-1H-pyrazole-4-formyl chloride is mostly liquid, with a clear color or yellowish, and a pungent odor. Parameters such as boiling point, melting point and density are also important physical properties. Its boiling point will vary according to the specific experimental conditions, but it is roughly within a specific temperature range. In terms of density, there are established values, which reflect the compactness of its molecules.

Chemically, 3- (difluoromethyl) -1 -methyl-1H -pyrazole-4 -formyl chloride is extremely active. In the formyl chloride group, the chlorine atom is highly active and easily participates in various substitution reactions. When exposed to water, it will rapidly hydrolyze to generate corresponding acid and hydrogen chloride gas. This hydrolysis reaction is violent and is an important manifestation of its chemical properties. In organic synthesis, it is often used as an acylating reagent to acylate with alcohols, amines and other compounds to form esters, amides and other important organic compounds. The pyrazole ring structure gives the compound a certain stability, but it also gives it a specific reactivity check point, which can participate in a variety of cyclization, addition and other reactions, providing organic synthesis chemists with a rich choice of reaction paths, which can be used to construct complex and diverse organic molecules, laying the foundation for new drug research and development, high-performance materials creation and other fields.

What to pay attention to when storing and transporting 3- (difluoromethyl) -1-methyl-1+H-pyrazole-4-carbonyl chloride

3 - (difluoromethyl) - 1 - methyl - 1H - pyrazole - 4 - formyl chloride is an important raw material in organic chemicals. When storing and transporting it, all matters need to be treated with caution.

First words storage, this compound is very active, and it is easy to react with water, heat or certain impurities. Therefore, it should be stored in a cool, dry and well-ventilated place, away from direct sunlight. The temperature should be controlled within a specific range, often at a low temperature to prevent its deterioration or decomposition. And it must be stored separately with oxidizing agents, alkalis and other substances, because it encounters with them, it is easy to react violently and cause safety risks. In the choice of storage containers, use corrosion-resistant materials, such as glass or specific plastic containers, to seal tightly to prevent moisture and air from invading.

As for transportation, all attention should also be paid. Before transportation, make sure that the packaging is complete, well sealed, and free of leakage. During transportation, be careful to avoid vibration, impact and high temperature. Choose a smooth transportation method to avoid bumps. And the transportation environment needs to be kept dry and cool. At the same time, the transportation personnel should be familiar with the dangerous characteristics of this compound and emergency treatment methods to prevent accidents, and can respond quickly. If there is a leak during transportation, they should immediately deal with it according to the established procedures, evacuate the crowd, isolate the scene, and collect and clean up the leak in a professional way to ensure the safety of the environment and people.

Effects of 3- (difluoromethyl) -1-methyl-1+H-pyrazole-4-carbonyl chloride on the environment and human health

3- (difluoromethyl) -1-methyl-1H-pyrazole-4-formyl chloride is a specific compound in organic chemistry. This substance has potential effects on the environment and human health.

At the end of the environment, if it is released into nature, it may exhibit many effects. Its chemical properties may cause it to remain in soil and water bodies, making it difficult to degrade. The residue of this compound may affect the structure and function of soil microbial communities. Soil microorganisms are essential for soil fertility and material circulation. Once disturbed, they may cause soil ecological imbalance and affect plant growth. And if it flows into water bodies, it may be toxic to aquatic organisms. Because aquatic organisms are sensitive to pollutants, or cause physiological dysfunction of fish, plankton and other organisms, interfere with the food chain of the aquatic ecosystem, and then destroy the balance of the entire aquatic ecology.

As for human health, if the human body is exposed to this compound through breathing, skin contact or accidental ingestion, it may be harmful. When exposed to the respiratory tract, it may irritate the mucosa of the respiratory tract, causing symptoms such as cough and asthma. Long-term exposure may cause damage to lung function. Skin contact may cause skin allergy and inflammation, affecting the normal physiological function of the skin. If eaten by mistake, it has certain chemical activity, or causes corrosion and irritation to the digestive system, affecting the normal digestion and absorption of the gastrointestinal tract, and in severe cases may damage the function of important organs such as the liver and kidneys. Therefore, such compounds should be strictly controlled during production and use to prevent their adverse effects on the environment and human health.