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

(1R) -2-chloro-1- [ (2S) -6-fluoro-chroman-2-yl] ethanol, the chemical structure of this compound can be resolved from its naming.

" (1R) " and " (2S) " denote the three-dimensional configuration of a specific carbon atom in the molecule, according to the Cahn-Ingold-Prelog rule. "2-chloro", indicating that at position 2 of the ethanol structure, there is a chlorine atom attached. " 1 - [ (2S) -6-fluoro-chroman-2-yl] "means that the 1 position of the ethanol structure is connected to the (2S) -6-fluoro-chroman-2-yl group.

The chroman structure is an oxygen-containing heterocyclic ring formed by fusing the benzene ring with the dihydropyran ring." 6-fluoro "indicates that there is a fluorine atom in the 6 position of the chroman ring, and" (2S) "specifies the three-dimensional configuration of the 2 position of this chroman ring.

In summary, the chemical structure of (1R) -2 -chloro-1- [ (2S) -6 -fluoro-chroman-2-yl] ethanol is based on ethanol, which is connected to a specific group at a specific position and has a specific three-dimensional configuration. In its structure, chlorine atoms and chroman-2-groups are respectively connected to different carbon sites of ethanol, and there are also fluorine atoms in the No. 6 position on the chroman ring. According to this specific relationship between each atom and group, the unique chemical structure of this compound is constructed.

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

(1R) -2 -chloro-1- [ (2S) -6 -fluoro-chroman-2-yl] ethanol, this is an organic compound. Its physical properties are crucial and affect many aspects of chemistry and practical applications.

Looking at its appearance, it often takes a colorless to light yellow liquid shape at room temperature and pressure. This color and state are the external physical manifestations of the compound, which can be intuitively identified by the naked eye. In the laboratory or industrial production, it is an important basis for preliminary judgment of its characteristics.

Talking about the boiling point, due to factors such as intermolecular forces, its boiling point is within a specific range. The presence of chlorine atoms, fluorine atoms and hydroxyl groups in the molecule makes the intermolecular force quite complex. The electronegativity of chlorine and fluorine atoms is relatively large, which will enhance the intermolecular dipole-dipole force, while the hydroxyl group can form hydrogen bonds, which further strengthen the intermolecular force, resulting in an increase in the boiling point. Specifically, the boiling point of the compound is about [X] ° C (because the exact value needs to be determined experimentally, it is only indicated here). This boiling point characteristic is extremely critical in separation and purification operations such as distillation. Controlling the appropriate temperature can realize the effective separation of the compound from other substances. The melting point of

is also an important physical property. Due to the regularity and interaction of the molecular structure, the melting point is specific. In its molecular structure, the presence of chromatic rings imparts a certain rigidity, and the influence of substituents makes the molecular arrangement have a certain regularity. Under suitable conditions, the compound will change from solid to liquid, with a melting point of about [Y] ° C (also schematic value). Determination of the melting point helps to identify the purity of the compound. If it contains impurities, the melting point will often decrease and the melting range will become wider.

In terms of solubility, due to the coexistence of hydrophilicity of hydroxyl groups and hydrophobicity of organic groups, the solubility of the compound varies in different solvents. In polar organic solvents such as ethanol and acetone, the hydroxy group forms a hydrogen bond with the solvent, showing good solubility; in non-polar solvents such as n-hexane, the hydrophobic organic part dominates, and the solubility is poor. In water, although hydroxyl groups can form hydrogen bonds with water, the overall organic structure is large, so the solubility is limited.

Density is the mass of the substance per unit volume, which is restricted by molecular composition and structure. The density of this compound is about [Z] g/cm ³ (schematic). The determination of density is indispensable in the process of material measurement and phase separation in chemical production, which is related to production accuracy and product quality.

In summary, the physical properties of (1R) -2 -chloro-1- [ (2S) -6 -fluorochroman-2-yl] ethanol, such as appearance, boiling point, melting point, solubility and density, are related to each other and affect its various applications and studies in the field of chemistry.

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

The synthesis methods of (1R) -2-chloro-1- [ (2S) -6-fluoro-chroman-2-yl] ethanol include the following:

First, the chroman derivative can be used as the starting material. First, (2S) -6-fluoro-chroman-2-carboxylic acid is taken, and the carboxyl group is reduced to an alcoholic hydroxyl group by a reduction reaction with an appropriate reducing agent, such as lithium aluminum hydride, etc., to obtain (2S) -6-fluoro-chroman-2-methanol. Subsequently, the product undergoes a halogenation reaction with halogenated reagents, such as thionyl chloride, etc., so that the alcohol hydroxyl group is converted into a chlorine atom to form (2S) -6-fluoro-2-chloromethyl chroma. Then the halogenate is nucleophilic substitution reaction with acetaldehyde under basic conditions. The base can be selected from sodium hydroxide, etc., and the final product is (1R) -2-chloro-1 - [ (2S) -6-fluoro-chroma-2-yl] ethanol.

Second, 6-fluoro-chroma is used as the starting material. First, it is alkylated at the 2-position, and a suitable halogenated acetate is selected. Under the action of a basic catalyst, such as sodium hydride, 2- (ester methyl) -6-fluorochrome is generated. Then the ester group is hydrolyzed, and the acid or base catalyzes hydrolysis to obtain 2- (carboxymethyl) -6-fluorochrome. After the reduction reaction, as above, the carboxylic group is reduced to the alcohol hydroxyl group by lithium aluminum hydride to obtain 2- (hydroxymethyl) -6-fluorochrome. Then the hydroxymethyl group is halogenated to obtain 2- (chloromethyl) -6-fluorochrome. Finally, the target product can be obtained by reacting with acetaldehyde and base according to the above nucleophilic substitution steps.

Third, fluorine-containing styrene derivatives can also be obtained. First, with appropriate epoxidation reagents, such as m-chloroperoxybenzoic acid, to generate 6-fluoro-3,4-epoxy styrene derivatives. This epoxy and acetaldehyde are catalyzed by Lewis acid, such as boron trifluoride ethyl ether complex, for ring-opening addition reaction to generate (1R) - 2-hydroxy-1 - [ (2S) - 6-fluorochrome-2-yl] ethanol. Finally, the hydroxyl chloride is substituted with a chlorination reagent, such as dichlorosulfoxide, to obtain (1R) -2-chloro-1- [ (2S) -6-fluorochrome-2-yl] ethanol.

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

(1R) -2 -chloro-1- [ (2S) -6 -fluorochroman-2-yl] ethanol is a special compound in the field of organic chemistry. Its main use is more common in the field of medicinal chemistry and organic synthesis.

In medicinal chemistry, such compounds may have unique biological activities or can be used as lead compounds for the development of new drugs. Because the introduction of fluorine atoms and chlorine atoms can significantly change the physical, chemical properties and biological activities of compounds. Fluorine atoms can enhance the lipophilicity of compounds, improve their ability to cross biological membranes, and then affect their absorption, distribution, metabolism and excretion in vivo. Chlorine atoms may interact with specific targets in organisms, showing pharmacological activities such as antibacterial, anti-inflammatory, and anti-tumor.

In the field of organic synthesis, (1R) -2 -chloro-1- [ (2S) -6 -fluorochrome-2-yl] ethanol can be used as a key intermediate. Through various organic reactions, such as nucleophilic substitution, elimination, and redox reactions, it can be structurally modified and derived to prepare more complex and diverse organic compounds. The specific chiral structure of this intermediate is of great significance in asymmetric synthesis, and can be used to construct target products with optical activity, providing an effective way to obtain high-purity and high-activity organic compounds.

What are the relevant safety precautions for (1R) -2-chloro-1- [ (2S) -6-fluorochroman-2-yl] ethanol

(1R) -2-chloro-1- [ (2S) -6-fluorochrome-2-yl] ethanol is an organic compound. It is necessary to examine the safety precautions of this compound in detail.

Bear the brunt of the chemical toxicity should not be underestimated. The toxicity data of this compound may be limited, but it should still be assumed that it is potentially toxic at the time of operation. If you accidentally come into contact with the skin, you should immediately rinse with plenty of water. If you still feel unwell after rinsing, you must seek medical attention immediately. If you accidentally enter the eye, do not rub it, immediately rinse with flowing water or normal saline, and then rush to the ophthalmology department for treatment. If you take it by mistake, you must not induce vomiting. You should seek medical attention as soon as possible, and bring the relevant information of this substance to assist medical diagnosis.

Furthermore, the risk of ignition and explosion cannot be ignored. Although its exact flammability is not known, most organic compounds are flammable. In the place of storage and use, be sure to keep away from fire sources and heat sources, and strictly prohibit fireworks. The place of use should have good ventilation conditions to prevent the formation of explosive mixed gases. In case of fire, the appropriate extinguishing agent must be selected according to its chemical properties, and must not be blindly put out.

This compound may have a certain impact in the environment. The operation process must be cautious, do not let it flow into sewers, rivers and other water bodies to prevent pollution of water sources. If a leak occurs, quickly evacuate unrelated personnel and set up warning signs. Small leaks can be absorbed by inert materials such as sand and vermiculite; large leaks need to be contained by building embankments or digging holes, and then properly handled.

Personnel engaged in relevant operations must have professional training and be familiar with the operating procedures. Appropriate protective equipment should be worn when working, such as protective gloves, goggles, protective clothing, etc., to ensure their own safety. Store this material in a cool and ventilated warehouse, away from fire and heat sources, and store it separately from oxidants, acids, etc., and avoid mixed storage. Only by treating it with caution and taking comprehensive precautions can we ensure safe operation and avoid accidents.