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What is the chemical structure of (3s) -3- (4- (2-chloro-5-iodophenyl) methyl) phenoxy) tetrahydro-furan
The name of this organic compound is (3s) -3- (4- ((2-chloro-5-iodophenyl) methyl) phenoxy) tetrahydrofuran. To know its chemical structure, it can be analyzed by name.
"tetrahydrofuran" is the parent nucleus of this compound. Tetrahydrofuran is a cyclic structure, with four carbon atoms and one oxygen atom in the ring, in the shape of a five-membered ring.
" (3s) -3 -" indicates that the substituent is attached to the third position of the tetrahydrofuran ring, and the three-dimensional configuration at this position is S-type.
" (4- ((2-chloro-5-iodophenyl) methyl) phenoxy) " is a 3-position substituent. Where "phenoxy", that is, the benzene ring, is connected to the oxygen atom, which is connected to the 3-position carbon of the tetrahydrofuran ring. " (2-chloro-5-iodophenyl) " is another benzene ring, with chlorine atom substitution at the upper 2-position and iodine atom substitution at the 5th position, and the methyl group of this benzene ring is connected to the 4-position of the benzene ring in "phenoxy".
In summary, the structure of this compound is based on a tetrahydrofuran ring as the parent nucleus, with a substituent containing two benzene ring structures at the 3rd position, one of which is chlorinated at the 2nd position and iodine at the 5th position with a methyl group. The methyl group is connected to the 4th position of the other benzene ring, and the other benzene ring is connected to the tetrahydrofuran ring at the 3rd position through an oxygen atom, and the 3rd position is of the s-configuration.
What are the physical properties of (3s) -3- (4- (2-chloro-5-iodophenyl) methyl) phenoxy) tetrahydro-furan
(3S) -3- (4- ((2-chloro-5-iodophenyl) methyl) phenoxy) tetrahydrofuran, this is an organic compound. Its physical properties are related to its behavior in the material world and are quite important.
Let's talk about the appearance first. Generally speaking, such organic compounds are mostly in a solid or liquid state. Due to the molecular structure, they contain aromatic and heterocyclic rings, or they may appear colorless to light yellow. If the conjugated system contained is large, or has a specific color due to electron transition.
Melting point and boiling point are also key physical properties. In view of the fact that the intermolecular forces include van der Waals forces, dipole-dipole interactions, etc., there is an increase in the intermolecular forces between the aromatic ring and the halogen atom. Therefore, the melting point is relatively high, and the specific value needs to be accurately determined by experiments. It is speculated that it should be higher than some simple aliphatic compounds. The boiling point is also affected by the intermolecular forces and molecular weight. The compound has a large molecular weight and strong intermolecular effects. The boiling point is either in a higher temperature range or up to hundreds of degrees Celsius, and the specific structure is accurately determined.
In terms of solubility, because the molecule contains polar phenoxy groups, halogen atoms and relatively non-polar tetrahydrofuran rings, it has good solubility in organic solvents. For example, common organic solvents such as ethanol, acetone, and dichloromethane can effectively dissolve this compound due to the principle of similar miscibility. In water, because the overall polarity is not extremely strong, the solubility may be poor.
The density is related to the mass per unit volume. According to its molecular structure and constituent atoms, the density may be greater than that of water. Because it contains atoms with relatively large atomic mass such as chlorine and iodine, the mass per unit volume increases.
In addition, the refractive index is also one of its physical properties. The refractive index reflects the degree of refraction of light when passing through the substance, and is related to the molecular structure and electron cloud distribution. Due to the complex structure of the compound, the electron cloud distribution is unique, and the refractive index may have a specific value, which can be accurately determined by a refractometer to provide a basis for its
What is the preparation method of (3s) -3- (4- (2-chloro-5-iodophenyl) methyl) phenoxy) tetrahydro-furan
To prepare (3s) -3- (4- (2-chloro-5-iodophenyl) methyl) phenoxy) tetrahydrofuran, the method is as follows:
First, the raw materials are required. Take 2-chloro-5-iodobenzaldehyde, 4-hydroxybenzyl alcohol and tetrahydrofuran and make them pure.
times, the reaction step. In a suitable reactor, fill it with nitrogen to eliminate air. Put 2-chloro-5-iodobenzaldehyde and an appropriate amount of reducing agent, such as sodium borohydride, in an alcohol solvent, control the temperature moderately, often ice bath to room temperature, stirring the response, this step can be obtained 2-chloro-5-iodobenzyl alcohol. Then, 2-chloro-5-iodobenzyl alcohol and 4-hydroxybenzyl alcohol are heated to a suitable temperature, such as 80-100 degrees Celsius, in an organic solvent, such as N, N-dimethylformamide, under the catalysis of a base, such as potassium carbonate, and the reaction number, to obtain 4 - ((2-chloro-5-iodophenyl) methyl) phenol.
Then 4- ((2-chloro-5-iodophenyl) methyl) phenol and properly protected tetrahydrofuran derivatives, in the presence of a catalyst, such as p-toluenesulfonic acid, in an inert solvent, such as toluene, are heated and refluxed to form ether bonds. After the reaction is completed, the product is purified by post-treatment, such as extraction, washing, drying, column chromatography, etc. The final product is (3s) -3- (4- (2-chloro-5-iodophenyl) methyl) phenoxy) tetrahydrofuran. Each step of the reaction requires careful testing of the process, control of conditions, and preservation of yield and purity.
What are the main uses of (3s) -3- (4- (2-chloro-5-iodophenyl) methyl) phenoxy) tetrahydro-furan
(3S) -3- (4- (2-chloro-5-iodophenyl) methyl) phenoxy) tetrahydrofuran, an organic compound. It has a wide range of uses and is of great significance in the field of medicinal chemistry.
In the process of new drug development, it is often used as a key intermediate. Due to its specific chemical structure, it can be cleverly reacted with other compounds to construct molecular structures with unique pharmacological activities. For example, through carefully designed reaction steps, it can be combined with compounds containing specific functional groups to prepare drug molecules with high affinity and selectivity for specific disease targets, which are expected to become potential new drugs for the treatment of difficult diseases such as tumors and neurological diseases.
In the field of materials science, it also shows potential value. By virtue of its structural properties, it may be able to participate in the preparation of polymer materials with special properties. For example, it can be used as a functional monomer and introduced into the polymer chain through polymerization to endow the material with special properties such as light response and conductivity, and then applied to cutting-edge fields such as optoelectronic materials and sensors.
In addition, in the study of organic synthesis methodologies, it is often used as a model compound. By in-depth exploration of various reactions using it as a substrate, researchers have developed novel, efficient and green organic synthesis methods, promoting the continuous development of organic chemistry and providing innovative ideas and methods for the synthesis of more complex organic compounds.
What are the related chemical reactions of (3s) -3- (4- (2-chloro-5-iodophenyl) methyl) phenoxy) tetrahydro-furan?
The chemical reactions related to (3s) -3- (4- ((2-chloro-5-iodophenyl) methyl) phenoxy) tetrahydrofuran are indeed interesting and crucial research areas in the field of organic chemistry.
This compound has a unique structure in which the tetrahydrofuran ring is connected to a halogenated phenyl-substituted phenoxy group, which gives it a specific chemical activity. From the perspective of nucleophilic substitution, due to the presence of chlorine and iodine atoms on the benzene ring, it can be used as an electrophilic reagent to substitution with nucleophilic reagents such as alcohols and amines under appropriate conditions. For example, in case of alcohol nucleophiles, under the action of alkali catalysis, halogen atoms can be replaced by alkoxy groups to form new ether derivatives.
Furthermore, about its oxidation reaction. In view of the certain reductivity of tetrahydrofuran ring, under the action of strong oxidants, carbon-carbon bonds or carbon-oxygen bonds in the ring can be oxidized to form oxidation products such as lactones and diols. The halogen atoms on the benzene ring may participate in the oxidation-dehalogenation reaction in some oxidation systems, which changes the electron cloud density of the benzene ring and affects the subsequent reaction activity.
In addition, in the metal-catalyzed coupling reaction, the halogenated benzene part can be coupled with organometallic reagents such as boron and tin under the catalysis of transition metals such as palladium and nickel. This reaction can effectively build carbon-carbon bonds, expand the substituent structure of the benzene ring, and synthesize more complex and diverse organic compounds. It has important application value in many fields such as drug synthesis and material chemistry.
At the same time, due to the interaction of electronic effects and spatial effects of different groups in the compound, the regioselectivity and stereoselectivity also need to be considered when various reactions occur, in order to achieve efficient synthesis of the target product.
