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What is the chemical structure of (S) -5-Chloro-Alpha- (Cyclopropylethynyl) -2-Amino-Alpha- (Trifluoromethyl) -Benzenemethanol?
This is the chemical name of (S) - 5 - - α - ( cyclopropylethynyl) - 2 - amino - α - ( trifluoromethyl) - benzyl alcohol. To know its chemical structure, it is necessary to analyze the meanings of each part of its name.
" (S) " means that the compound is chiral and is of the S configuration. " 5-Chloro "indicates that the benzene ring has a chlorine atom substituted at position 5 ;“α - ( cyclopropyl ethynyl) " refers to the cyclopropyl ethynyl group attached to the α-position carbon connected to the benzene ring; "2-amino" epitene ring has an amino group ;“α - ( trifluoromethyl) "The alpha-position carbon also has trifluoromethyl;" benzyl alcohol "indicates that this compound has benzyl alcohol as the basic structure.
Its chemical structure is roughly as follows: benzene ring as the base, chlorine atom at No. 5, amino group at No. 2; benzene ring side chain α-carbon is connected with cyclopropyl ethynyl group at one end, trifluoromethyl group at the other end, and this α-carbon is also connected with hydroxyl group to form benzyl alcohol structure. The side chain of cyclopropyl ethynyl group, cyclopropyl group has a ternary carbon ring, ethynyl group is a carbon-carbon triple bond structure; trifluoromethyl is a carbon atom connected to three fluorine atoms. In this way, the chemical structure of this compound will be roughly clear.
What are the physical properties of (S) -5-Chloro-Alpha- (Cyclopropylethynyl) -2-Amino-Alpha- (Trifluoromethyl) -Benzenemethanol?
(S) - 5 -chloro - α - ( cyclopropylethynyl) - 2 -amino - α - ( trifluoromethyl) -benzyl alcohol, which is an organic compound. Its physical properties are as follows:
In normal condition, it may be a white to off-white solid. Due to the interaction of many groups in the molecular structure, the molecules are arranged in an orderly manner and will be solid to a certain extent.
As for the melting point, due to the strong electronegativity of groups such as chlorine and trifluoromethyl, the intermolecular force is enhanced, and the estimated melting point is relatively high. However, the exact value needs to be determined accurately by experiments.
In terms of solubility, the molecule contains polar amino and hydroxyl groups, as well as non-polar benzene ring, cyclopropyl ethynyl group and other groups. Therefore, in polar organic solvents such as methanol and ethanol, there may be a certain solubility, because polar groups can form hydrogen bonds with polar solvents and other interactions; in non-polar organic solvents such as n-hexane, the solubility may be limited, because the non-polar part and the non-polar solvent have a weak force.
The density is also affected by the molecular structure. Many halogen atoms increase the molecular weight, the structure is compact, and the density may be greater than that of common organic solvents and water. However, the actual density still needs to be based on experimental measurements.
The physical properties of this compound have a profound impact on its application in chemical synthesis, drug development and other fields. By understanding its physical properties, we can better manipulate the reaction conditions, achieve the desired synthesis goals, and lay the foundation for its potential application in the pharmaceutical field.
What is the main use of (S) -5-Chloro-Alpha- (Cyclopropylethynyl) -2-Amino-Alpha- (Trifluoromethyl) -Benzenemethanol?
(S) - 5 - α - ( cyclopropyl ethynyl) - 2 - amino - α - ( trifluoromethyl) - benzyl alcohol, an organic compound. It has a wide range of uses and is often a key intermediate in the synthesis of specific drugs in the field of medicinal chemistry. With its unique chemical structure, it can play a key role in the construction of biologically active molecular structures and help to develop new drugs for specific diseases.
In the field of organic synthesis, as a characteristic structural unit, it can participate in a variety of chemical reactions, such as the formation reaction of carbon-carbon bonds and carbon-nitrogen bonds, etc., so as to prepare organic materials with complex structures and special properties, and contribute to the development of materials science.
In the process of drug development, because it contains special functional groups, or endows the synthesized drugs with unique pharmacological activities, such as better targeting and higher bioavailability, it brings hope for the creation of drugs to overcome difficult diseases.
Furthermore, in the cutting-edge field of chemical research, as a research object, it can help researchers to deeply explore basic chemical problems such as organic reaction mechanism and stereochemistry, and promote the theoretical development and technological innovation of chemistry. Overall, this compound has indispensable uses in many important fields and is of great significance to scientific progress and practical applications.
What are the preparation methods of (S) -5-Chloro-Alpha- (Cyclopropylethynyl) -2-Amino-Alpha- (Trifluoromethyl) -Benzenemethanol?
The preparation method of (S) - 5 - - α - ( cyclopropylethynyl) - 2 - amino - α - ( trifluoromethyl) - benzyl alcohol has been around for a long time, and with the changes of years, a variety of exquisite methods have been developed.
In the past, the commonly used method was to use specific halogenated benzene derivatives as starting materials. First, halogenated benzene is introduced into trifluoromethyl through a series of reactions. This step requires careful control of the reaction conditions. Due to the difficulty of introducing trifluoromethyl, the reagents and environmental requirements are strict. Then, at a specific location of the benzene ring, an amino group is added by clever organic synthesis methods. This process requires precise control of the reaction check point and reagent activity to prevent side reactions.
Furthermore, to obtain the key structure of cyclopropylacetynyl, the reaction path needs to be carefully designed. Cyclopropane derivatives often interact with acetylation reagents to generate intermediates containing cyclopropylacetynyl groups, which are then combined with modified benzene derivatives. This binding step requires finding suitable catalysts and reaction solvents to improve the reaction efficiency and product purity.
In addition, modern preparation methods often rely on transition metal catalysis to achieve precise synthesis. For example, the cross-coupling reaction catalyzed by palladium can efficiently form carbon-carbon bonds and carbon-heteroatomic bonds, which greatly improves the yield and selectivity of the target product. And in the reaction process, pay attention to the application of green chemistry concepts, and strive to reduce the generation of waste and improve atomic economy.
At the same time, chiral control is also the key to the preparation of (S) -configuration products. Chiral catalysts or chiral auxiliaries can be used to induce the reaction to generate products of specific configurations. During the reaction process, advanced analytical techniques, such as high performance liquid chromatography, nuclear magnetic resonance, etc., can be used to monitor the reaction progress and product purity in real time to ensure that the product meets the expected quality.
Looking at the various preparation methods, each has its own advantages and disadvantages, and the best method should be carefully selected according to the actual needs and conditions, so as to achieve the purpose of high-efficiency and high-quality preparation of (S) - 5 - chloropropyl - α - ( cycloethynyl) - 2 - amino - α - ( trifluoromethyl) - benzyl alcohol.
(S) -5-Chloro-Alpha- (Cyclopropylethynyl) -2-Amino-Alpha- (Trifluoromethyl) -Benzenemethanol What are the precautions during use?
(S) - 5 - - α - ( cyclopropyl ethynyl) - 2 - amino - α - ( trifluoromethyl) - benzyl alcohol. When using this substance, all kinds of matters must not be ignored.
First, safety is essential. This substance may have special chemical activity and is related to the risk of explosion, corrosion, toxicity, etc. In the place of operation, all kinds of protective equipment should be prepared, such as gas masks, protective gloves, goggles, etc., to ensure personal safety. And the operation must be well ventilated to prevent the accumulation of harmful gases.
Second, accurate access. Because it is a fine chemical, accurate dosage is crucial. When taking it, an accurate measuring tool must be used, and it must be strictly measured according to the experimental or production requirements. If the dosage is deviated, or the reaction results are very different, it will affect the product quality.
Third, store it properly. According to its physical and chemical properties, choose suitable storage conditions. Avoid high temperature, open flame, humid place, or need to be in a specific temperature and humidity environment to ensure its chemical stability and prevent deterioration or degradation.
Fourth, be familiar with the reaction. Before use, you must know the chemical reaction mechanism and conditions involved. Understand the influence of factors such as the proportion of reactants, reaction temperature, and duration on the results, in order to effectively control the reaction process and obtain the expected product.
Fifth, compliance disposal. Residual materials and waste after use cannot be discarded at will. They should be properly disposed of in accordance with relevant regulations and standards to prevent environmental pollution and ensure subsequent environmental and personal safety. In this way, this material can be used safely and effectively.