Name | 3-Chloro-1-(4-fluorobenzyl)propanol |
Molecular Formula | C10H12ClFO |
Molecular Weight | 202.65 |
Chemical Formula | C10H12ClFO |
Molar Mass | 202.653 g/mol |
Appearance | Typically a colorless to pale - yellow liquid (physical state may vary depending on purity and conditions) |
Boiling Point | Data may vary; approximate range could be in the range of organic compounds with similar structure, e.g., around 250 - 300°C under normal pressure (estimated based on related compounds) |
Density | Approximate density around 1.1 - 1.3 g/cm³ (estimated from similar halogen - containing aromatic - aliphatic compounds) |
Solubility In Water | Low solubility in water due to the non - polar aromatic and long - chain aliphatic parts; likely less than 1 g/L |
Solubility In Organic Solvents | Soluble in common organic solvents like ethanol, methanol, dichloromethane, and ethyl acetate |
Flash Point | Should be determined experimentally; but for a flammable organic compound, it could be in the range of 100 - 150°C (estimated) |
What is the main use of 3-Chloro-1- (4-fluorobenzyl) -propanol?
3-Chloro-1- (4-fluorobenzyl) -propanol is one of the organic compounds. It has a wide range of uses and is often used as a key intermediate in the field of medicinal chemistry. With the theory of creating new drugs, it can be converted into compounds with specific pharmacological activities through specific chemical reactions, which is very helpful for the development of drugs with antibacterial and anti-inflammatory effects.
It also has its uses in the field of materials science. Or it can participate in the synthesis of polymer materials with special properties, endowing materials with better stability, flexibility or other special physical and chemical properties, and make extraordinary contributions in the development of new plastics, fibers and other materials.
In organic synthetic chemistry, 3-chloro-1- (4-fluorobenzyl) -propanol is often an important starting material for the construction of complex organic molecules due to its unique chemical structure. Chemists can use their delicate synthesis strategies to use their chlorine atoms, benzyl, fluorine atoms and other activity check points to gradually build a complex organic skeleton, laying the foundation for the creation of novel structures and specific functions of organic compounds. It plays an indispensable role in the synthesis of natural products and new organic functional materials.
What are the physical properties of 3-Chloro-1- (4-fluorobenzyl) -propanol
3-Chloro-1- (4-fluorobenzyl) -propanol is one of the organic compounds. Its physical properties are particularly important, and it is related to the behavior of this compound in various situations.
Looking at its appearance, under normal circumstances, it is usually a colorless to light yellow transparent liquid. This color and shape are easy to identify in actual operation and observation. Its odor may have a special faint aromatic smell, but the strength and characteristics of this smell will also vary depending on the surrounding environment and purity.
When it comes to solubility, this compound exhibits good solubility in organic solvents such as ethanol and ether. This property allows such solvents to be used in organic synthesis reactions to promote full contact and mixing with other reactants, so as to facilitate the smooth progress of the reaction. In water, its solubility is relatively limited, because of its molecular structure, hydrophobic groups occupy a certain proportion, so that the interaction between them and water molecules is weak.
Melting point and boiling point are also important physical properties. Its melting point is low, causing it to exist in a liquid state at room temperature. The boiling point is in a certain temperature range, and the exact value will vary slightly due to differences in measurement conditions and purity. This boiling point characteristic, in the process of separation and purification, can be distinguished from other substances by means of distillation and other means according to the difference in boiling point. < Br >
In terms of density, 3-chloro-1- (4-fluorobenzyl) -propanol has a specific density value compared with common organic solvents. This density characteristic is of great significance when it comes to solution preparation, stratification separation, etc., and can be used to estimate its distribution in the mixed system.
In addition, its refractive index is also an inherent physical constant. The refractive index can be used to identify the purity of the compound. If the purity changes, the refractive index value will also change accordingly.
All physical properties are interrelated and jointly determine the behavior of 3-chloro-1- (4-fluorobenzyl) -propanol in different scenarios, providing an important basis for applications in many fields such as organic synthesis, analysis and detection.
Is 3-Chloro-1- (4-fluorobenzyl) -propanol chemically stable?
The chemical stability of 3-chloro-1- (4-fluorobenzyl) -propanol needs to be investigated in detail. Looking at the structure of this compound, the chlorine atom and the hydroxyl group occupy a specific position, and are connected to the propanol structure containing fluorobenzyl.
The chlorine atom has a certain electronegativity, which can cause changes in the distribution of electron clouds in the molecule, which has a great impact on the reactivity. When encountering nucleophiles, the chlorine atom is located at a check point or a reaction hotspot, and it is easy to be replaced by nucleophiles, because it can leave as a leaving group.
Furthermore, the hydroxyl group is also a key functional group. Hydroxyl groups are nucleophilic and can participate in many reactions, such as esterification reactions. Under suitable conditions, they can form corresponding esters with carboxylic acids. And hydroxyl groups can form hydrogen bonds, which have a significant impact on their physical properties, such as boiling point and solubility. Due to the presence of hydrogen bonds, this substance may have a high boiling point and may have a certain solubility in water.
4 -fluorobenzyl moiety, the introduction of fluorine atoms, due to its strong electronegativity, will affect the electron cloud density of benzyl groups, which in turn will affect the electronic effects of the whole molecule. It can make the benzyl moiety more or more difficult to participate in certain reactions, depending on the specific situation of the reaction.
However, if there is no specific reagent or condition in the environment, and it is properly stored to avoid factors such as light and high temperature, 3-chloro-1- (4-fluorobenzyl) -propanol may be able to maintain a relatively stable state. However, once the appropriate reaction conditions are encountered, each functional group will initiate a corresponding reaction according to its inherent characteristics, resulting in its chemical properties showing an active state, so its stability is not absolute, but depends on external conditions.
What are the synthesis methods of 3-Chloro-1- (4-fluorobenzyl) -propanol
The synthesis of 3-chloro-1 - (4-fluorobenzyl) -propanol is an important topic in the field of organic synthesis. According to the literature in the past, there are several common synthesis paths as follows.
First, 4-fluorobenzyl halide and 3-chloropropanol are prepared by nucleophilic substitution reaction. First, 4-fluorobenzyl halide, such as 4-fluorobenzyl chloride, interacts with a base to convert 3-chloropropanol into the corresponding alkoxide. This alkoxide is nucleophilic and can attack the benzyl carbon of 4-fluorobenzyl halide. The halogen ions leave to form the target product 3-chloro-1 - (4-fluorobenzyl) -propanol. The reaction conditions are mild and the yield is acceptable, but attention should be paid to the purity of the raw material and the monitoring of the reaction process to prevent side reactions.
Second, 4-fluorobenzaldehyde and 3-chloropropanol are used as the starting materials, and the intermediate is first formed by condensation reaction, and then the target product is reduced. Under the catalysis of acid or base, 4-fluorobenzaldehyde and 3-chloropropanol undergo a condensation reaction to form enol ether or hemiacetal intermediate. Subsequently, the intermediate is reduced with a suitable reducing agent, such as sodium borohydride, etc., and the carbonyl group is reduced to a hydroxyl group to obtain 3-chloro-1- (4-fluorobenzyl) -propanol. This path has a little more steps, but the reaction selectivity of each step is good, and the yield and purity can be optimized by adjusting the reaction conditions.
Third, the halogenated aromatics and halogenated alkanes are used as starting materials, and the carbon-carbon bond is constructed through a metal catalytic coupling reaction, and then the hydroxyl group is introduced. For example, 4-fluorohalobenzene and 3-halopropanol derivatives are coupled under the action of palladium and other metal catalysts and ligands to form carbon-carbon bonds. Subsequent reactions such as hydrolysis or nucleophilic substitution introduce hydroxyl groups to obtain the target product. This method requires specific metal catalysts and reaction conditions, and requires high reaction equipment and operation. However, complex structure construction can be realized, providing a new strategy for synthesis.
What are the precautions for 3-Chloro-1- (4-fluorobenzyl) -propanol in storage and transportation?
3-Chloro-1- (4-fluorobenzyl) -propanol This product requires attention to many matters during storage and transportation.
The first thing to pay attention to is the temperature and humidity of the environment. This material may be affected by changes in temperature and humidity, high temperature may cause it to evaporate, and high humidity may cause it to deliquescent and deteriorate. Therefore, it should be stored in a cool, dry place. The warehouse temperature should be controlled between 15-30 degrees Celsius, and the humidity should be kept at 40% -60%.
The second is the stability and sealing of the package. The packaging must be solid to prevent the package from being damaged due to collision and vibration during transportation, and the leakage of 3-chloro-1- (4-fluorobenzyl) -propanol. Sealing is also crucial to prevent it from contacting with outside air, moisture, etc., to avoid chemical reactions such as oxidation.
Furthermore, it needs to be stored in isolation. It cannot be mixed with oxidants, acids, alkalis and other substances. Due to its active chemical nature, contact with the above substances can easily cause severe chemical reactions, or serious accidents such as fire or explosion.
When transporting, the transportation means selected must also be adapted. Vehicles with good ventilation should be selected, and during transportation, drivers and escorts should pay close attention to the status of the goods, do not park in crowded places at will, and the driving route should also avoid high temperature and open flame areas.
In addition, the storage area should be clearly marked with warning signs, indicating that this is a chemical, and non-professionals are not allowed to enter. And it is necessary to be equipped with corresponding fire equipment and leakage emergency treatment equipment, so that in the event of an emergency, it can be responded quickly and reduce hazards.