Chemical Name | 3H-1,4-Benzodiazepine-2-acetic acid, 7-chloro-5-(2-fluorophenyl)-α-(hydroxyimino)-, ethyl ester |
Chemical Name | 3H-1,4-Benzodiazepine-2-acetic acid, 7-chloro-5-(2-fluorophenyl)-α-(hydroxyimino)-, ethyl ester |
Molecular Formula | C21H16ClFN2O3 |
Molecular Weight | 400.815 |
Chemical Formula | C21H18ClFN2O4 |
Molecular Weight | 418.83 |
Iupac Name | ethyl 7-chloro-5-(2-fluorophenyl)-2-(hydroxyimino)-3H-1,4-benzodiazepine-2-acetic acid |
Chemical Formula | C21H17ClFN3O4 |
Molecular Weight | 431.83 |
Iupac Name | ethyl 7-chloro-5-(2-fluorophenyl)-α-(hydroxyimino)-3H-1,4-benzodiazepine-2-acetate |
Appearance | Solid (predicted) |
Boiling Point | 614.7°C at 760 mmHg (predicted) |
Melting Point | 189 - 191°C |
Logp | 3.96 (predicted) |
Solubility | Soluble in organic solvents like DMSO |
Pka | 11.69 (predicted) |
Vapor Pressure | 5.02E-16 mmHg at 25°C (predicted) |
What is the chemical structure of 3H-1,4-Benzodiazepine-2-acetic acid, 7-chloro-5- (2-fluorophenyl) -alpha - (hydroxyimino) -, ethyl ester
This is a description of the chemical structure of 7-chloro-5- (2-fluorophenyl) -alpha - (hydroxyimino) -3H-1,4-benzodiazepine-2-ethyl acetate.
Looking at its structure, it is based on the 1,4-benzodiazepine parent nucleus. No substitution at the 3rd position; there is a chlorine atom at the 7th position. The introduction of this halogen atom can change the physical and chemical properties of the compound, affect its reactivity and interaction with the receptor. The 5-position is connected with 2-fluorophenyl, and the fluorine atom has strong electronegativity, which can affect the electron cloud distribution of the molecule, and plays an important role in the lipophilicity and biological activity of the compound.
At the 2-position, it is connected by ethyl acetate group to form an ester structure. The existence of this ester group may affect the solubility, stability and metabolic process of the compound in vivo. The α-position has hydroxyimino groups, which may contribute significantly to the biological activity of the compound and the binding mode with specific targets.
The overall structure of this compound is complex, and the interaction of each substituent jointly determines its unique physical, chemical and biological activity properties. It may have potential research value in the field of medicinal chemistry.
What are the physical properties of 3H-1,4-Benzodiazepine-2-acetic acid, 7-chloro-5- (2-fluorophenyl) -alpha - (hydroxyimino) -, ethyl ester
3H - 1,4 - benzodiazepine - 2 - acetic acid, 7 - chloro - 5 - (2 - fluorophenyl ) - α - ( hydroxyimino) -, ethyl ester, its physical properties are as follows:
Viewed, it is often in the state of white to off-white crystalline powder, which is easy to observe and process, and is easy to identify in many scenarios.
When it comes to the melting point, it is about [specific melting point range]. The melting point is one of the characteristics of the substance. In this temperature range, the substance gradually melts from a solid state to a liquid state. This characteristic is crucial for judging its state change under different temperature environments. < Br >
In terms of solubility, in common organic solvents, such as ethanol, acetone, etc., it exhibits certain solubility characteristics. In ethanol, at a specific temperature and ratio, it can be partially dissolved to form a homogeneous dispersion system. This property is related to its participation in related chemical processes. For example, in solution reactions, the solubility affects the reaction rate and degree.
Density is also an important physical property, about [specific density value]. This value reflects the mass of a substance per unit volume. For scenarios involving volume and mass conversion, such as preparation, storage and transportation, density data is indispensable.
Furthermore, its stability is also worthy of attention. Under normal temperature and pressure and protected from light, it is relatively stable and the chemical structure is not easy to change significantly. However, if exposed to high temperature, strong light or a specific chemical environment, it may cause structural changes, which in turn affect its properties and efficacy.
The many physical properties of this substance are interrelated and play their respective roles. Its research, production and application fields are of great significance. In different scenarios, according to its specific physical properties, it can be used rationally and give full play to its maximum value.
What is the use of 3H-1,4-Benzodiazepine-2-acetic acid, 7-chloro-5- (2-fluorophenyl) -alpha - (hydroxyimino) -, ethyl ester
This drug is called 7-chloro-5- (2-fluorophenyl ) - α - ( hydroxyimino) -3H-1,4-benzodiazepine-2-ethyl acetate, which is an organic compound. In the field of medicine, it is often used as a key intermediate of benzodiazepine drugs.
Benzodiazepine drugs are widely used. First, it can be used as a sedative and hypnotic agent. It can soothe nerves and relax people, thereby improving sleep quality and helping insomniacs fall asleep safely. It is of great significance in the frequent occurrence of insomnia caused by modern fast-paced life. Second, it has anti-anxiety effect. It can reduce anxiety, anxiety, fear and other symptoms, help them restore a calm state of mind, normal life and work. Third, it has anti-convulsive and anti-epileptic functions. It can effectively inhibit abnormal discharge of nerve cells, control convulsions and seizures, and bring good news to related patients.
7-chloro-5- (2-fluorophenyl ) - α - ( hydroxyimino) -3H-1,4-benzodiazepine-2-ethyl acetate can be converted into benzodiazepines through specific chemical reactions and steps. However, it should be noted that the use and preparation of such compounds should adhere to strict regulations and standards, and be handled by professionals to ensure safety and effectiveness.
What is the synthesis method of 3H-1,4-Benzodiazepine-2-acetic acid, 7-chloro-5- (2-fluorophenyl) -alpha - (hydroxyimino) -, ethyl ester
To prepare 3H - 1,4 - benzodiazepine - 2 - acetic acid, 7 - chloro - 5 - (2 - fluorophenyl ) - α - ( hydroxyimino), ethyl ester, according to the following ancient method.
First take the appropriate starting materials, starting with 2 - fluorobenzaldehyde and suitable nitrogen-containing heterocyclic derivatives, in a suitable reaction vessel, add an appropriate amount of organic solvent, such as dichloromethane or N, N - dimethylformamide, both of which have good solubility and stability, which is helpful for the reaction.
Next, add a catalyst amount of alkali, such as potassium carbonate or triethylamine. The role of the base is to promote the formation of intermediates in the reaction, so that the reaction is advanced in the desired direction. Under mild heating conditions, control the temperature between about 50 and 70 degrees Celsius, and stir slowly to allow the raw materials to fully contact the reaction. This step aims to build the basic skeleton of benzodiazepines. The reaction process takes about several hours. During this period, the reaction process needs to be closely observed, which can be monitored by means of thin-layer chromatography.
After the first step of the reaction is completed, appropriate separation and purification steps, such as column chromatography, are used to obtain pure intermediate products. Subsequently, chlorine atoms are introduced for specific functional groups of the intermediate products. Chlorinated reagents, such as thionyl chloride or phosphorus trichloride, are often added dropwise to the reaction system at a low temperature environment, such as 0 to 10 degrees Celsius, while stirring continuously. This chlorination step must be handled with caution, because the chlorinated reagents are corrosive and volatile. After the reaction is completed, it is separated and purified again to obtain a chlorine-containing intermediate.
This chlorine-containing intermediate is then reacted with the corresponding ethyl acetate derivative. This step requires the addition of a suitable condensing agent, such as dicyclohexyl carbodiimide (DCC), and the catalyst 4-dimethylaminopyridine (DMAP). React at room temperature or slightly higher temperature. The key to this reaction is to precisely control the proportion of each reactant to ensure the purity and yield of the target product.
After the reaction is completed, the conventional post-processing steps such as extraction, washing, drying, etc., and finally by recrystallization or column chromatography and other refining methods, high purity 3H-1,4-benzodiazepine-2-acetic acid, 7-chloro-5 - (2-fluorophenyl ) - α - ( hydroxyimino), ethyl ester. The whole synthesis process requires fine operation, and the reaction conditions and material ratio of each step are crucial to the quality of the final product.
3H-1,4-Benzodiazepine-2-acetic acid, 7-chloro-5- (2-fluorophenyl) -alpha - (hydroxyimino) -, ethyl ester What are the relevant safety precautions?
I am here with you and the safety precautions for 3H - 1,4 - benzodiazepine - 2 - acetic acid, 7 - chloro - 5 - (2 - fluorophenyl ) - α - ( hydroxyimino) -, ethyl ester. When experimenting or using this substance, many points need to be kept in mind.
First, it is chemically active. When contacting, it must be properly protected. Such as protective gloves, it can prevent it from coming into contact with the skin, so as not to cause skin irritation, allergies and other diseases. Protective eye masks are also indispensable to prevent the substance from splashing into the eyes and damaging the eyes. Wearing experimental clothes can protect the body from possible contamination.
Furthermore, the operation should be done in a well-ventilated place. Because of its possible volatilization of harmful gases, good ventilation can quickly disperse harmful gases, prevent their accumulation, ensure the safety of the experimenter's breathing, and avoid respiratory discomfort and even poisoning caused by inhalation of harmful ingredients.
When storing, also pay attention. It should be placed in a dry, cool place away from fire and heat sources. Due to its chemical properties, improper temperature and humidity or deterioration can cause danger. Fire or heat sources are close, or there is a risk of fire or explosion.
In addition, the use of this substance should be based on precise methods and quantities. Excessive use, or cause the reaction to go out of control, causing an accident. After operation, the residue should not be disposed of at will, but should be properly disposed of according to regulations to prevent pollution of the environment and endanger the ecology.
In addition, the operator must have professional knowledge and skills. Without knowing its nature and operation methods, if you do it rashly, the risk will increase sharply. Learn its chemical properties, reaction characteristics and safe operation procedures before acting. In this way, you can use 3H - 1,4 - benzodiazepine - 2 - acetic acid, 7 - chloro - 5 - (2 - fluorophenyl ) - α - ( hydroxyimino) -, ethyl ester, to ensure safety.