Chemical Formula | C14H16F2N4O2 |
Molecular Weight | 310.30 |
Appearance | Solid (predicted) |
Melting Point | N/A |
Boiling Point | N/A |
Solubility | Soluble in organic solvents (predicted) |
Density | N/A |
Logp | N/A |
Pka | N/A |
Flash Point | N/A |
Chemical Name | (3R,5R)-5-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-1-ylmethyl)tetrahydrofuran-3-yl]methanol |
Molecular Formula | C15H16F2N4O2 |
Molecular Weight | 322.31 |
Chemical Formula | C14H15F2N3O2 |
Molecular Weight | 295.29 |
Iupac Name | (3R,5R)-5-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-1-ylmethyl)tetrahydrofuran-3-yl]methanol |
Appearance | Solid (predicted) |
Solubility | Solubility in organic solvents (predicted) |
Logp | Calculated logP value for lipophilicity |
Pka | No pKa values found in common databases |
What is the chemical structure of [ (3R, 5R) -5- (2,4-difluorophenyl) -5- (1H-1,2,4-triazole-1-ylmethyl) tetrahydrofuran-3-yl] methanol
To know the chemical structure of\ ([ (3R, 5R) -5- (2,4-diallyl) -5- (1H-1,2,4-triazole-1-ylmethyl) tetrahydroimidazole-3-yl] methyl ketone, and to answer according to the classical Chinese format of "Tiangong Kaiwu", this is a rather novel requirement.
This compound has a complex and delicate structure. First look at its main skeleton, which is the structure of tetrahydroimidazole, at the 3rd and 5th positions, there is a specific three-dimensional configuration, that is, the configuration of\ ((3R, 5R) \). Above the 5 position, there are two important substituents connected. One is\ ((2,4-diallyl) \), which is composed of diallyl, and the allyl group has active chemical properties. Its carbon-carbon double bond can be an active check point for many chemical reactions. The other is\ ((1H-1,2,4-triazole-1-ylmethyl) \), the triazole ring structure also has unique chemical properties, and is connected to the methyl through the 1-position, and then connected to the 5-position of the main skeleton.
Furthermore, at the 3-base of the main skeleton, there is a structure of methyl ketone. Methyl ketone is a common chemical functional group, and its carbonyl group has electrophilicity and can participate in many nucleophilic addition reactions.
The structure of this compound integrates a variety of functional groups and specific stereoconfigurations, and each part affects each other, giving it unique chemical and physical properties. It may have important research value and application potential in the fields of organic synthesis and medicinal chemistry.
[ (3R, 5R) -5- (2,4-difluorophenyl) -5- (1H-1,2,4-triazole-1-ylmethyl) tetrahydrofuran-3-yl] What are the physical properties of methanol
(3R, 5R) -5- (2,4-diallenhexyl) -5- (1H-1,2,4-triazole-1-ylmethyl) tetrahydropyran-3-ylacetate, this is an organic compound. Its physical properties are quite important, which is related to its application in many fields.
Looking at its properties, it may be in solid form at room temperature and pressure. Because of the existence of many cyclic and long chain structures in its structure, and the strong intermolecular forces, it has a relatively regular arrangement, so it is solid. The melting point may vary due to intermolecular interactions, and the cyclic structure and substituents will affect the lattice energy, causing the melting point to be in a specific range, or between tens and hundreds of degrees Celsius.
In terms of solubility, because the compound contains polar tetrahydropyran ring, triazolyl, and non-polar alkyl and alkenyl groups, its solubility in organic solvents may vary. In polar organic solvents such as ethanol and acetone, or with a certain solubility, polar groups and solvent molecules can form hydrogen bonds or dipole-dipole interactions; in non-polar organic solvents such as n-hexane, the solubility may be low, because the non-polar part interacts with non-polar solvents weakly.
The density is affected by the molecular structure and accumulation mode. Due to its relatively compact structure and higher density than water, this property needs to be paid attention to in some separation and mixing operations involving density considerations.
In addition, its volatility is low. Due to strong intermolecular forces, molecules need high energy to escape from the liquid phase to the gas phase. This property makes it less susceptible to loss due to volatilization during storage and use. Under different environmental conditions, these physical properties may change slightly, but overall, the above properties play a key guiding role in its research and application, and are of great significance in organic synthesis, drug development and other fields.
What are the main uses of [ (3R, 5R) -5- (2,4-difluorophenyl) -5- (1H-1,2,4-triazole-1-ylmethyl) tetrahydrofuran-3-yl] methanol
[ (3R, 5R) -5- (2,4-dienohexyl) -5- (1H-1,2,4-triazole-1-ylmethyl) tetrahydroimidazole-3-yl] methyl ether, this is an organic compound. Its main uses are complex. It belongs to the genus of "Tiangong Kaiwu". Although it does not directly correspond to this substance, it can be deduced from ancient principles.
The chemical industry of ancient times involves many industries such as medicine, dyeing and weaving, metallurgy, etc. In the way of medicine, many organic compounds are the key to pharmaceuticals. With this degree of material, it may have antibacterial and antiviral properties. Ancient medicine often sought the properties of grass, wood and stone to cure diseases. Today's organic compounds follow this principle, borrowing the power of molecular structure to achieve the effect of curing and saving people. If it has an affinity for specific targets of pathogens, it can prevent the growth and reproduction of pathogens, and it can be a good medicine.
In the industry of dyeing and weaving, ancient also emphasizes the research and use of pigments and mordants. If this material has a special chromogenic group or a structure that can be combined with fabric fibers, it can be filled with new dyes or mordants to increase the color and fastness of fabrics. Think of ancient dyers, study the color of grass and trees, and use alum, alkali and other dyeing aids. If this compound is available today, it may open up a new way of dyeing and weaving.
Metallurgy and other industrial fields, or catalysts, ligands, etc. Ancient metallurgy, based on experience and simple agents to promote metal separation and purification. Today's organic compounds play an important role in catalysis and coordination chemistry. If this substance can change the rate and selectivity of chemical reactions, it will be able to develop its strengths in metallurgy and other industrial links, improve production efficiency and reduce energy consumption.
In summary, [ (3R, 5R) -5- (2,4-dienehexyl) -5- (1H-1,2,4-triazole-1-ylmethyl) tetrahydroimidazole-3-yl] methyl ether, although not described in detail in ancient times, is based on ancient chemical thinking. It may have significant uses in the fields of medicine, dyeing and weaving, industrial catalysis, etc., and can become a driving force for promoting various industries.
What are the synthesis methods of [ (3R, 5R) -5- (2,4-difluorophenyl) -5- (1H-1,2,4-triazole-1-ylmethyl) tetrahydrofuran-3-yl] methanol
To prepare [ (3R, 5R) -5- (2,4-diethoxyphenyl) -5- (1H-1,2,4-triazole-1-ylmethyl) tetrahydropyran-3-yl] acetaldehyde, the method is as follows:
The first is the choice of raw materials. A suitable 2,4-diethoxybenzaldehyde is required. The ethoxy group in this aldehyde structure is connected to the benzene ring, which lays the foundation for the subsequent reaction of the benzene ring structure. Another 1H-1,2,4-triazole-1-ylmethyl related reagent is required. This reagent contains a specific triazole ring structure and will introduce key triazole groups. Suitable tetrahydropyran derivatives are also required to construct the tetrahydropyran ring.
The second is the reaction process. The condensation reaction of 2,4-diethoxy benzaldehyde with reagents containing active hydrogen can first occur, such as with enol silica ether reagents under the catalysis of Lewis acid, through nucleophilic addition, a carbon-carbon bond is formed to connect the benzene ring to the new group. Then, 1H-1,2,4-triazole-1-ylmethyl is introduced, which can be reacted with triazole salts by halogenated hydrocarbons under basic conditions to realize the substitution of triazolyl methyl groups and form a key connection.
Furthermore, for the construction of tetrahydropyran rings. The tetrahydropyran ring structure can be formed by condensation cyclization of hydroxyl groups with aldehyde or ketone groups under acidic catalysis, or by intracellular nucleophilic substitution reaction to close the loop. After the formation of the tetrahydropyran ring, oxidation or functional group conversion is carried out at a specific position to obtain the desired acetaldehyde group in the target product.
During the reaction process, the reaction conditions need to be strictly controlled. The temperature, the increase or decrease of the reaction time, and the amount of catalyst used are all related to the reaction yield and selectivity. If the condensation reaction temperature is too high, side reactions are easily caused; if the reaction time is too short, the reaction is incomplete.
The final product is purified. After the reaction is completed, the product is purified by extraction, column chromatography, etc. Extraction can be separated according to the solubility difference between the product and the impurity in different solvents, and column chromatography can achieve the purpose of separation and purification according to the adsorption and distribution coefficients of the product and the impurity between the stationary phase and the mobile phase. Pure [ (3R, 5R) -5- (2,4-diethoxyphenyl) -5- (1H-1,2,4-triazole-1-ylmethyl) tetrahydropyran-3-yl] acetaldehyde.
[ (3R, 5R) -5- (2,4-difluorophenyl) -5- (1H-1,2,4-triazole-1-ylmethyl) tetrahydrofuran-3-yl] methanol What are the precautions during use
[ (3R, 5R) -5- (2,4-dienohexyl) -5- (1H-1,2,4-triazole-1-ylmethyl) tetrahydropyran-3-yl] methyl ether During use, the following key matters should be paid attention to:
First, this substance has a specific chemical structure and properties, and it is necessary to accurately grasp its chemical properties, such as solubility and stability, before use. Because solubility is related to its dispersion in different solvents, it has a significant impact on the choice of reaction environment; stability determines storage conditions and service life. If stored improperly, it is easy to deteriorate and affect the use effect.
Second, strictly control the dosage. The dosage needs to be accurately determined according to the specific experimental purpose, reaction system and relevant standards. If the dose is too small, the desired effect may not be achieved; if the dose is too large, it may not only cause waste, but also cause side reactions, interfere with the main reaction process, and even affect the quality and purity of the product.
Third, attach great importance to the reaction conditions. Reaction conditions such as temperature, pH (pH value), and reaction time have a significant impact on the reaction process and product formation of this substance. Improper temperature can make the reaction rate abnormal, or cause the reaction to fail, or generate unexpected products; inappropriate pH value may affect the activity of the substance and hinder the smooth progress of the reaction; the reaction time is not controlled, the product may not be completely formed, or the overreaction produces impurities.
Fourth, properly carry out storage management. According to its characteristics, it should be stored in a dry, cool, well-ventilated place, away from fire sources, oxidants, etc. Some chemicals are prone to react with other substances in a specific environment, causing safety accidents, so a suitable storage environment is essential to ensure the stability of material properties and the safety of use.
Fifth, strengthen safety protection measures. During use, be sure to wear appropriate protective equipment, such as laboratory clothes, gloves, goggles, etc. Because of its chemical properties may cause harm to the human body, contact with the skin or splash into the eyes may cause adverse consequences such as burns and allergies, so safety protection is indispensable. At the same time, the operation should be carried out in a well-ventilated environment to avoid inhalation of volatile gases to prevent damage to the respiratory tract.