Chemical Formula | C20H24FNO2 |
Iupac Name | (1S)-2-(benzylamino)-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanol |
Chemical Name | (1S)-2-(benzylamino)-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanol |
Molecular Formula | C18H20FNO2 |
Molecular Weight | 299.36 |
Solubility | Depends on solvent (organic solvents likely) |
Chirality | Two chiral centers at positions 1 and 2 of the main structure |
Functional Groups | Amino, hydroxyl, benzyl, and chromene |
Chemical Name | (1S)-2-(benzylamino)-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanol |
Molecular Formula | C18H20FNO2 |
Molecular Weight | 299.355 g/mol |
Cas Number | N/A |
Appearance | N/A |
Melting Point | N/A |
Boiling Point | N/A |
Solubility | N/A |
Density | N/A |
Pka | N/A |
Logp | N/A |
Flash Point | N/A |
Chemical Name | (1S)-2-(benzylamino)-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanol |
Molecular Formula | C18H20FNO2 |
Molecular Weight | 299.36 |
What is the chemical structure of (1S) 2- (benzylamino) -1- [ (2R) -6-fluoro-3,4-dihydro-2H-chromen-2-yl] ethanol
This is the chemical structure of (1S) -2- (benzylamino) -1- [ (2R) -6-fluoro-3,4-dihydro-2H-chromene-2-yl] ethanol. In its chemical structure, (1S) and (2R) represent the configuration of the chiral center. 1 - [ (2R) -6-fluoro-3,4-dihydro-2H-chromene-2-yl] part, has a fluorine-containing 3,4-dihydro-2H-chromene ring, and has specific chirality at the two positions. 2 - (benzyl amino) part, indicating that the amino group is connected to the benzyl group. Ethanol part, that is, there is a hydroxyl group connected to the above structure. Overall, this compound is composed of chromene ring, benzyl amino group and ethanol structural fragments ingeniously combined. The uniqueness of this structure determines its physical and chemical properties, and it is used in the field of medicinal chemistry or has specific activities and uses.
What are the physical properties of (1S) 2- (benzylamino) -1- [ (2R) -6-fluoro-3, 4-dihydro-2H-chromen-2-yl] ethanol
(1S) 2- (benzylamino) -1- [ (2R) -6-fluoro-3,4-dihydro-2H-chromene-2-yl] ethanol, which is an organic compound. According to its physical properties, under room temperature and pressure, it is either a solid state or a viscous liquid state, which is caused by intra-molecular interactions and structural characteristics.
Discusses the melting point, or between specific temperature ranges, due to intermolecular forces, such as hydrogen bonds, van der Waals forces, etc., which make the molecules arranged in an orderly manner. The boiling point is also determined by the intermolecular forces, and the strong forces are higher than the boiling point. < Br >
In terms of solubility, because the molecule contains polar hydroxyl groups, amino groups, and non-polar benzyl groups and chromene groups, in polar solvents such as water, or has a certain solubility, polar groups can form hydrogen bonds with water molecules; in non-polar solvents such as alkanes, due to the presence of benzyl groups and chromene groups, or also has certain solubility.
The density is related to the relative molecular weight. The molecular structure is complex, the relative molecular weight is large, and its density may be greater than that of common organic solvents. And because the molecule contains fluorine atoms, the electronegativity of fluorine atoms is large, which also affects the physical properties of the molecule, such as affecting the intermolecular forces, and then affecting the melting point, boiling point, etc. In addition, the existence of its chiral center may affect the way its crystals are deposited, which also plays a role in physical properties.
What is the main use of (1S) 2- (benzylamino) -1- [ (2R) -6-fluoro-3, 4-dihydro-2H-chromen-2-yl] ethanol
(1S) -2- (benzylamino) -1- [ (2R) -6-fluoro-3,4-dihydro-2H-chromene-2-yl] ethanol, which has a wide range of uses. In medicine, it is often the key raw material for the synthesis of delicate medicines. Due to its unique chemical structure, it can cleverly fit with many biological targets in the body, so it can be used in the treatment of diseases.
The field of modern medicine can be used to create specific drugs for specific diseases. In the process of drug research and development, it is like the key to opening the door to treasure, guiding the way forward for medical scientists to explore new therapies and develop new drugs.
In addition, in the field of organic synthesis, it is also an indispensable and important intermediate. With this, masters of organic synthesis can build complex and changeable organic molecular structures. Just like skilled craftsmen use their exquisite skills as a cornerstone to build an exquisite building of organic compounds. Through ingenious chemical reactions, it is connected with other types of organic molecules to derive a wide variety of organic products with different functions, injecting vitality and vitality into the development of organic chemistry.
What are the synthesis methods of (1S) 2- (benzylamino) -1- [ (2R) -6-fluoro-3,4-dihydro-2H-chromen-2-yl] ethanol
The synthesis of (1S) -2- (benzylamino) -1- [ (2R) -6-fluoro-3,4-dihydro-2H-chromene-2-yl] ethanol is an important method in the field of organic synthesis. There are many methods, and several common methods are briefly described below.
First, it can be started from (2R) -6-fluoro-3,4-dihydro-2H-chromene-2-formaldehyde. First, it is reduced to (2R) -6-fluoro-3,4-dihydro-2H-chromene-2-methanol with a suitable reducing agent, such as sodium borohydride. Subsequently, this product and benzyl amine under appropriate reaction conditions, such as catalyzed by acidic catalysts and heated environment, undergo nucleophilic substitution reaction, and the amine group attacks the carbon connected to the alcohol hydroxyl group, and the hydroxyl group leaves, then the target product is obtained.
Second, (2R) -6-fluoro-3,4-dihydro-2H-chromene-2-halide can also be used as the starting material. With the reactivity of halogenated hydrocarbons, react with benzylamine to form (2R) -6-fluoro-3,4-dihydro-2H-chromene-2-benzylamine intermediates. Then through appropriate reduction means, such as reduction with lithium aluminum hydride, the halogen atom is replaced by a hydroxyl group, and then the target (1S) -2- (benzylamino) -1- [ (2R) -6-fluoro-3,4-dihydro-2H-chromene-2-yl] ethanol.
Or, use (1S) -2 -halo-1- [ (2R) -6 -fluoro-3,4 -dihydro-2H -chromene-2 -yl] ethane as the substrate. First, nucleophilic substitution is carried out with benzylamine, and the halogen atom is replaced by benzylamine. Then, through an appropriate oxidation-reduction path, the halogen atom is converted into a hydroxyl group, and the final product is obtained.
All synthesis methods have their own advantages and disadvantages. In practical application, the appropriate synthesis path needs to be carefully selected according to many factors such as the availability of raw materials, the difficulty of reaction, and the consideration of cost.
(1S) 2- (benzylamino) -1- [ (2R) -6-fluoro-3, 4-dihydro-2H-chromen-2-yl] ethanol
(1S) 2- (benzylamino) -1- [ (2R) -6-fluoro-3,4-dihydro-2H-chromene-2-yl] ethanol, this is an organic compound. Regarding its safety precautions, the following points should be paid attention to in detail:
First, the toxicity of the chemical. Although the exact toxicity of this compound is not yet known, many organic compounds may have certain toxicity. During operation, do not let it come into contact with skin and eyes, and do not breathe its dust, smoke or steam. If you come into contact accidentally, rinse with plenty of water immediately and seek medical attention according to the actual situation.
Second, fire and explosion risk. Most organic compounds are flammable, and this compound may be the same. The storage place should be kept away from fire, heat and oxidants to prevent fire or explosion. The equipment and environment used should meet the requirements of fire and explosion protection.
Third, chemical stability. This compound may undergo chemical reactions under specific conditions, such as high temperature, high humidity, light or contact with certain substances, resulting in changes in properties or even the formation of harmful products. Therefore, when storing, it is necessary to ensure that the environment is dry, cool and protected from light, and at the same time avoid mixing with incompatible substances.
Fourth, environmental protection. During the use of this compound, whether it is waste or reaction products, it should be properly disposed of and should not be dumped at will to avoid pollution to the environment. It is necessary to follow relevant environmental regulations and choose appropriate disposal methods.
Fifth, operating specifications. When using this compound, the operator should wear appropriate protective equipment, such as laboratory clothes, gloves and goggles. And the operation should be carried out in a well-ventilated environment, such as in a fume hood, to reduce the accumulation of harmful gases. At the same time, the use process should be recorded in detail for traceability and inquiry.