Chemical Formula | C10H10ClFO |
Molecular Weight | 202.64 |
Density | Estimated around 1.1 - 1.2 g/cm³ based on similar halogen - containing organic compounds |
Solubility In Water | Low solubility, organic ketones with benzyl groups are generally hydrophobic |
Solubility In Organic Solvents | Soluble in common organic solvents like ethanol, acetone, dichloromethane |
Vapor Pressure | Low vapor pressure at room temperature as it is a relatively high - molecular - weight organic compound |
Chemical Formula | C10H10ClFO |
Molecular Weight | 202.637 g/mol |
Physical State | liquid (presumably, common for such organic compounds) |
Solubility In Water | low solubility, as it is an organic non - polar compound |
Solubility In Organic Solvents | soluble in common organic solvents like ethanol, dichloromethane, etc. |
Vapor Pressure | low vapor pressure due to its relatively high molecular weight and polar functional groups |
What are the main uses of 3-Chloro-1- (4-fluorobenzyl) -propanone?
3-Chloro-1- (4-fluorobenzyl) -acetone is one of the organic compounds. It has a wide range of uses and is often an important intermediate in the field of pharmaceutical synthesis. It covers the process of pharmaceutical creation. The synthesis of many drugs relies on this compound to participate in the reaction. After a series of delicate chemical transformations, it can be prepared into drugs with specific curative effects, or as antibacterial and antiviral agents, or helpful in the treatment of nervous system diseases.
In the field of pesticide chemistry, 3-chloro-1- (4-fluorobenzyl) -acetone is also indispensable. It can be used as a key raw material for the synthesis of new pesticides. After chemical modification and synthesis, pesticide products with high insecticidal, bactericidal or herbicidal properties can be prepared, which can help the harvest of agriculture and protect crops from pests and diseases.
In addition, in the field of materials science, it may be able to participate in the synthesis of specific functional materials. By reacting with other compounds, materials with unique physical and chemical properties, such as optical materials, polymer materials, etc., are constructed to contribute to the progress of materials science. It is like a shining star in the stage of organic synthetic chemistry, playing an important role in chemical reactions in different fields and promoting the development and innovation of various fields.
What are the synthesis methods of 3-Chloro-1- (4-fluorobenzyl) -propanone?
The method of synthesis of 3-chloro-1 - (4-fluorobenzyl) -acetone depends on the technique of organic synthesis. In the past, various sages used clever techniques in organic synthesis, but now there are many methods to produce this compound.
One of the methods may start from suitable halogenated hydrocarbons and compounds containing carbonyl groups. First take the halogenated hydrocarbons, whose halogen atoms are active and can be substituted with nucleophiles. If the halogen containing 4-fluorobenzyl structure is selected, it can be used with the nucleophile with acetone structure. Under suitable reaction conditions, such as in the catalysis of bases and suitable solvents, the bases can activate the nucleophiles and promote the reaction between the two. The halogen of the halogenated hydrocarbon leaves, and the negative part of the nucleophilic reagent attacks the positive center of the carbon of the halogenated hydrocarbon, thus forming a carbon-carbon bond, and gradually builds the structure of the target molecule.
Another method may take advantage of the reactivity of carbonyl compounds. First modify the carbonyl of acetone to make it easier to react with reagents containing 4-fluorobenzyl. The carbonyl group can be converted into an enol type by means of enolization, which is nucleophilic and can react with the halogenated 4-fluorobenzyl reagent to generate the desired product. Pay attention to the control of reaction conditions, such as temperature and reaction time, during the reaction. If the temperature is too high, it may cause an increase in side reactions; if the time is too short, the reaction may be incomplete.
Or start with organometallic reagents, and use organometallic reagents containing 4-fluorobenzyl groups, such as Grignard reagents or lithium reagents, to react with suitable halogenated acetone derivatives. The carbon-metal bonds of organometallic reagents have strong polarity, and the carbon is partially negatively charged. It has strong nucleophilic properties. It can undergo nucleophilic substitution with the carbon connected to the halogenated atom of halogenated acetone, and then synthesize 3-chloro-1 - (4-fluorobenzyl) -acetone. In this process, the choice of solvent is crucial, and anhydrous and inert solvents are required to prevent organometallic reagents from reacting with active substances such as water and deactivating. In short, there are various synthesis methods, and each method needs to be carefully selected and carefully operated according to the actual situation to obtain a pure product.
What are the physical properties of 3-Chloro-1- (4-fluorobenzyl) -propanone?
3-Chloro-1- (4-fluorobenzyl) -acetone, the physical properties of this substance are as follows.
Looking at its shape, under room temperature and pressure, it is mostly in the shape of a liquid state. Its color is often close to colorless and transparent, but it may be slightly yellow due to impurities, etc. Its appearance is quite pure, like clear water. If placed in a glass container, it can be viewed through light and has a certain fluidity, like water in a stream, moving slowly.
When it comes to smell, it often has a special aromatic smell, neither as sweet and greasy as the fragrance of flowers, nor as mellow as the fragrance of medicine. This fragrance is slightly irritating, and the smell can make the nasal cavity slightly perceive, just like a unique signal, informing people of its existence.
In terms of solubility, it is soluble in a variety of organic solvents. Such as ethanol, the two meet, just like old friends reunite, quickly blend, and dissolve without distinction; in ether, it can also dissolve well, just like salt entering water, invisible but real. However, in water, its solubility is not good, just like oil and water are difficult to blend, floating on water, distinct. < Br >
Its boiling point is a specific value. When heated to this temperature, this substance is like a bird that breaks free from bondage, transforming from liquid to gaseous, and rising. The existence of boiling point makes it important for separation, purification and other process operations, just like a tailor-made threshold for it, it can change its shape when it reaches this temperature.
Melting point is also a key property. When the temperature drops to the melting point, this substance gradually solidifies from a flowing state, like time is still, from smart to stable, and the solid state is more stable, which is convenient for storage and transportation under specific conditions. < Br >
Density is also one of its characteristics, which is lighter or heavier than water. This characteristic can help to initially separate and screen it in the mixture through density differences, as if it is labeled with a special label to distinguish it from others.
These are the physical properties of 3-chloro-1- (4-fluorobenzyl) -acetone. In many fields such as chemical industry and scientific research, they have different applications and values due to their unique physical properties.
What are the chemical properties of 3-Chloro-1- (4-fluorobenzyl) -propanone?
3-Chloro-1 - (4-fluorobenzyl) -acetone is an organic compound with interesting chemical properties, including the following characteristics:
1. ** Nucleophilic Substitution Reactivity **: In this molecule, chlorine atoms are attached to saturated carbon atoms, which reduces the electron cloud density of the carbon atoms and presents partial positive electricity. This structure makes this compound vulnerable to nucleophiles, and chlorine atoms are easily replaced. Nucleophiles such as alcohols, amines, and thiols can react with it. For example, when alcohol nucleophiles are catalyzed by bases, anions of alcohol oxides will attack chlorine-containing carbon atoms, and chlorine atoms will leave to form ether derivatives. This reaction is often used in organic synthesis to construct chemical bonds such as carbon-oxygen, carbon-nitrogen, and carbon-sulfur.
2. ** Reactivity of Carbonyl **: The intra-molecular carbonyl group (C = O) is the reactive center. The carbon atom in the carbonyl group is positively charged. Due to the strong electronegativity of the oxygen atom, it attracts electrons and is vulnerable to attack by nucleophiles. For example, Grignard's reagent (RMgX), its carbon negative ions will attack the carbonyl carbon, and then hydrolyzed to form alcohols. At the same time, with ammonia and its derivatives, such as hydroxylamine, hydrazine, etc., condensation reactions can occur to form oxime, hydrazone and other products. Such reactions are used in organic synthesis to construct nitrogen-containing heterocycles or modify molecular structures.
3 . **α - Activity of hydrogen **: Hydrogen on the α-carbon atom connected to the carbonyl group (α-hydrogen) has a certain acidity due to the electron-withdrawing action of the carbonyl group. Under the action of a base, α-hydrogen is easy to leave and form carbonegative ions. As a nucleophilic reagent, this negative carbon ion can react with other electrophilic reagents, such as alkylation reaction with halogenated hydrocarbons to grow carbon chains; or hydroxyaldehyde condensation reaction with aldose and ketone to construct more complex organic molecular structures. It is an important means to form carbon-carbon bonds in organic synthesis.
4. ** Properties of benzene ring **: The molecule contains 4-fluorobenzyl moiety, and the benzene ring is aromatic and relatively stable. Although fluorine atoms have a strong electron-absorbing induction effect, their p-orbital conjugation with the large π bond of the benzene ring has a complex impact on the distribution of electron clouds in the benzene ring. In general, the benzene ring can undergo electrophilic substitution reactions, such as halogenation, nitrification, sulfonation, etc. The fluorine atom localization effect makes the electrophilic reagent mainly attack the benzene ring in the adjacent and para-position with the fluorine atom, which provides the basis for further modification on the benzene ring, and can introduce various functional groups to expand the structure and properties of the compound.
What are the precautions for 3-Chloro-1- (4-fluorobenzyl) -propanone in storage and transportation?
3-Chloro-1- (4-fluorobenzyl) -acetone is an organic chemical. When storing and transporting, many key matters need to be paid attention to to to ensure safety and avoid unexpected situations.
The first thing to pay attention to is the temperature and humidity of the storage environment. This substance should be stored in a cool, dry and well-ventilated place to prevent its evaporation from being accelerated due to excessive temperature or chemical reactions caused by excessive humidity. The temperature should be controlled between 15 ° C and 30 ° C, and the humidity should be kept at 40% to 60%. If the temperature is too high, it may cause its physical properties to change, or even cause decomposition; if the humidity is too high, it may cause the material to deteriorate with moisture, affecting its quality and stability.
Second, the choice of storage container is also very critical. Corrosion-resistant materials should be selected, such as glass, specific plastics or stainless steel containers. Because 3-chloro-1 - (4-fluorobenzyl) -acetone may be corrosive to a certain extent, ordinary material containers are prone to corrosion and cause material leakage. Containers must be tightly sealed to prevent oxidation in contact with air or evaporation, which not only causes waste, but also may pollute the environment and endanger human health.
Furthermore, it must be properly fixed during transportation to avoid collisions and vibrations. Because it is a chemical substance, violent collisions or vibrations may cause the container to rupture and the substance leaks. Transportation vehicles should be equipped with necessary protective and emergency equipment, such as fire extinguishers, leakage emergency treatment tools, etc., in case of leakage, they can respond in a timely and effective manner.
At the same time, whether it is storage or transportation, they must strictly follow relevant laws and regulations and safety standards. Operators should be professionally trained, familiar with the characteristics and safety precautions of the substance, standardized operation, and must not be negligent.
In addition, it should be stored and transported separately from oxidants, acids, bases and other substances. Due to its active chemical properties, contact with these substances is very likely to cause violent chemical reactions, resulting in fire, explosion and other serious consequences.
In short, for the storage and transportation of 3-chloro-1- (4-fluorobenzyl) -acetone, the above matters must be treated with caution to ensure the safety of personnel, the environment is not polluted and the quality of the material is not affected.