What is the chemical structure of (1S) -2-chloro-1- [ (2R) -6-fluorochroman-2-yl] ethanol

(1S) -2-chloro-1- [ (2R) -6-fluorochrome-2-yl] ethanol, which is an organic compound. In its nomenclature, (1S) and (2R) denote the configuration of chiral carbon atoms. "1- [ (2R) -6-fluorochrome-2-yl]" indicates that the molecule contains a chromatic ring structure, with a specific configuration of substituents at the 2nd position of the chromatic ring, and the 6th position is a fluorine atom. The "2-chloro-1-ethanol" part means that the chromatic ring is connected at the 1st position of ethanol, and the 2nd position is a chlorine atom.

Its chemical structure is constructed as follows: The first is the chromatic ring, which is formed by fusing a benzene ring with a dihydropyran ring. At the 2nd position of the dihydropyran ring, there is a substituent in the (2R) configuration, which is partially connected to ethanol. The 1st position of ethanol is connected to the 2nd position of the chromatic ring, and the 2nd position is replaced by a chlorine atom. The 6th fluorine atom is directly connected to the benzene ring of the chromatic ring.

The benzene ring part of the chromatic ring has aromatic properties and can participate in reactions such as aromatic electrophilic substitution. The oxygen atom in the dihydropyran ring can participate in the reaction as an electron donor because of its lone pair of electrons. The hydroxyl group of the ethanol part is nucleophilic and can undergo substitution, esterification and other reactions. The chlorine atom, as a leaving group, can also participate in nucleophilic substitution reactions. This compound has many applications in the field of organic synthesis because it contains multiple reactive functional groups, or can be used as an intermediate for the preparation of more complex organic molecules.

What are the physical properties of (1S) -2-chloro-1- [ (2R) -6-fluorochroman-2-yl] ethanol

(1S) -2-chloro-1- [ (2R) -6-fluoro-chroman-2-yl] ethanol, this is an organic compound with specific physical properties.

Looking at its physical state, under room temperature and pressure, or a colorless to light yellow liquid, its molecular structure causes the intermolecular forces to be different, so it presents a liquid state. The boiling point of this substance, or due to factors such as intermolecular forces and relative molecular mass, is about 150 ° C - 250 ° C. The specific value varies depending on impurities and experimental conditions. Because there is a certain van der Waals force between molecules, it needs a specific energy to overcome it, so that the substance can change from liquid to gas state. < Br >
The melting point is discussed, in view of its molecular arrangement and interaction, or between -20 ° C and 20 ° C. At low temperature, the thermal motion of the molecules weakens, close to each other, and form a solid lattice structure according to specific rules.

Its density is also an important physical property, about 1.2-1.4 g/cm ³. Due to the presence of chlorine, fluorine and other atoms in the molecule, the atomic weight is large, which increases the mass per unit volume and the density is higher than that of common organic solvents.

In terms of solubility, the compound has a certain polarity due to its chlorine atom, hydroxyl group and chromatic ring structure, and may have good solubility in polar organic solvents such as ethanol and acetone. Due to the principle of "similar miscibility", hydrogen bonds and dipole-dipole interactions can be formed between polar molecules and polar solvents to help them dissolve. In non-polar solvents such as n-hexane, the solubility may be poor due to the mismatch of intermolecular forces.

In addition, the compound may be volatile. In an open environment, the molecule obtains enough energy to escape the liquid surface and diffuse into the air. However, the volatility is restricted by temperature, pressure and its own molecular properties.

What is the main use of (1S) -2-chloro-1- [ (2R) -6-fluorochroman-2-yl] ethanol

(1S) -2-chloro-1- [ (2R) -6-fluoro-chroman-2-yl] ethanol, which is used in the field of pharmaceutical and chemical industry, is quite critical.

In the process of pharmaceutical creation, it can be used as an important synthetic building block. Due to its specific three-dimensional configuration and functional groups, it can be combined with other compounds by organic synthesis to construct complex drug molecular structures. Or in the synthesis process of some new antimalarial drugs, (1S) -2-chloro-1- [ (2R) -6-fluorochrome-2-yl] ethanol can be used as a key starting material. After multi-step reaction, the necessary structural fragments are introduced to achieve the molecular morphology required for drug activity.

In the field of chemical materials, it also has potential uses. Due to its unique chemical structure, it may participate in the preparation of special polymer materials. For example, polymerization with specific monomers gives the resulting polymer special physical and chemical properties, such as unique solubility, thermal stability, or adsorption to specific substances, so as to meet the material requirements of special fields such as electronics and optics.

In addition, in the field of biological activity research, it can be used as a biological probe. Because of its specific structure, it is easy to interact with specific targets in organisms, allowing scientists to explore physiological and biochemical processes in organisms, such as cell signaling pathways, enzyme activity regulation mechanisms, etc. By observing its binding mode with biological macromolecules and subsequent biological effects, it provides key information for basic research in life sciences.

What are the synthesis methods of (1S) -2-chloro-1- [ (2R) -6-fluorochroman-2-yl] ethanol

The synthesis of (1S) -2-chloro-1- [ (2R) -6-fluoro-chroman-2-yl] ethanol has many paths to be found.

First, it can be started from chroman derivatives. First take (2R) -6-fluoro-chroman-2-carboxylic acid, and use a suitable reducing agent, such as lithium aluminum hydride, to reduce its carboxyl group to alcoholic hydroxyl group at low temperature and in an anhydrous reaction environment to obtain (2R) -6-fluoro-chroman-2-methanol. Subsequently, with a chlorinated reagent, such as thionyl chloride, in a suitable solvent such as dichloromethane, under mild heating conditions, the alcohol hydroxyl group is converted into a chlorine atom to generate (2R) -6-fluoro-2-chloromethyl chromophores. Finally, by using a nucleophilic substitution reaction, with a suitable nucleophilic reagent, such as an ethanol solution of sodium ethanol, the ethanol negative ion attacks the chloromethyl group, and then is acidified to obtain the target product (1S) -2-chloro-1 - [ (2R) -6-fluorochromophores-2-yl] ethanol.

Second, it can be started from fluorophenol. Using 2-fluorophenol as raw material, first react with appropriate halogenated hydrocarbons in alkaline conditions, such as the presence of potassium carbonate, in acetonitrile solvent to generate corresponding ethers. Then, through cyclization, a chromatic ring system can be constructed, and then through chiral induction steps, the chiral center is introduced to obtain (2R) -6-fluorine chromatic derivatives. The subsequent steps are similar to the former, through hydroxyl halogenation and nucleophilic substitution, the final product is obtained.

The synthesis path requires attention to the precise control of the reaction conditions, and the purification and identification of the intermediates between the steps are also key, so as to improve the purity and yield of the product.

Precautions for (1S) -2-chloro-1- [ (2R) -6-fluorochroman-2-yl] ethanol in storage and transportation

(1S) -2-chloro-1- [ (2R) -6-fluoro-chroman-2-based] ethanol is an organic compound. When storing and transporting, the following things must be noted.

First stability and reactivity. This compound may have specific chemical activity and is quite sensitive to heat, light, air or moisture. Therefore, when storing, it should be stored in a cool, dry and well-ventilated place away from light. If exposed to air or in contact with moisture, it may cause chemical reactions and cause it to deteriorate. For example, if it encounters moisture or hydrolyzes to form other substances, its quality and purity will be damaged. < Br >
Times and packaging materials. Packaging materials should be compatible with the compound and do not react with it. Glass or specific plastic containers are commonly used. Glass containers have good chemical stability and can effectively block air and moisture. However, when containing chlorine-containing compounds, some plastic materials may be corroded due to interaction with them, so careful selection of suitable packaging is required.

Further transportation conditions. During transportation, temperature and vibration must be strictly controlled. Violent vibration or damage to the package, causing compound leakage. Excessive temperature, or accelerate its chemical reaction rate, affecting stability. When long-distance transportation and the climate is changeable, appropriate temperature control measures must be taken to ensure that the temperature is constant.

Also need to pay attention to safety signs. Storage and transportation sites should clearly post relevant safety signs, such as warning of their chemical properties, hazard characteristics and emergency treatment methods. In this way, staff can quickly identify potential hazards and take correct prevention and response measures. In the event of accidental leakage, follow the emergency methods shown in the logo to quickly evacuate personnel, take good protection, and properly clean up to prevent the expansion of hazards.

Storage and transportation (1S) - 2-chloro-1 - [ (2R) - 6-fluorochrome-2-based] ethanol, be sure to consider the above points thoroughly to ensure its quality and safety and prevent accidents.