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What are the chemical properties of 3,5-dimethyl-4- (2-iodoethyl) isoxazole?
3,2,5-Dimethyl-4- (2-cyanoethyl) -azoline is an organic compound with many chemical properties.
In this compound, the presence of cyanoethyl and -azoline ring endows it with unique activity. The -azoline ring is a heterocyclic structure with certain stability, so that the nitrogen and oxygen atoms in the ring are rich in electrons, so that they can participate in various reactions.
From the perspective of nucleophilic reactions, the nitrogen atom of the -azoline ring can act as a nucleophilic check point and react with electrophilic reagents. In case of halogenated hydrocarbons, the lone pair of electrons of the nitrogen atom can attack the carbon atom of the halogenated hydrocarbons, resulting in the formation of carbon-nitrogen bonds, and new compounds can be derived.
The cyano group (-CN) of cyanoethyl group is active. The cyano group can be hydrolyzed, and under acidic or basic conditions, the cyano group is gradually converted to a carboxyl group (-COOH). In an alkaline environment, the cyano group is first hydrolyzed to an amide group (-CONH ²), and then further hydrolyzed to a carboxyl group. This hydrolysis reaction can be used to prepare derivatives containing carboxyl groups.
The cyano group can also participate in the addition reaction. For example, with compounds containing active hydrogen, such as alcohols and amines, under the action of Taking alcohols as an example, cyanoalcohol ethers can be formed, which enriches the structure and properties of compounds.
3,2,5-dimethyl-4- (2-cyanoethyl) -azoline methyl group, although relatively stable, can be oxidized under strong oxidation conditions. In case of strong oxidizing agent, methyl group may be gradually oxidized to carboxyl group, resulting in great changes in molecular structure and properties.
In addition, because the compound contains multiple different functional groups, the selective transformation of functional groups can be achieved by rationally designing the reaction sequence, and a series of organic compounds with diverse structures can be prepared, which has important application value in the field of organic synthesis.
What are the physical properties of 3,5-dimethyl-4- (2-iodoethyl) isoxazole
3,2,5-Dimethyl-4- (2-cyanoethyl) isoxazole is an organic compound. Its physical properties are as follows:
This substance is mostly liquid at room temperature, has a certain volatility, and can evaporate a special odor. Because its molecular structure contains groups such as cyano (-CN), isoxazole ring and methyl (-CH 🥰), it exhibits unique properties in solubility. It is slightly soluble in water because its molecule is not a typical hydrophilic structure. It has only some polar groups and cannot form extensive hydrogen bonds with water molecules. However, it is easily soluble in common organic solvents such as ethanol, ether, acetone, etc. Due to the interaction between these organic solvents and the molecules of the compound through van der Waals forces, good miscibility can be achieved.
From the density point of view, its density is greater than that of water, and it will sink to the bottom when mixed with water. In terms of melting point and boiling point, in view of the existence of certain interaction forces between its molecules, including van der Waals forces, dipole-dipole interactions, etc., it has a relatively moderate melting point and boiling point, and the specific values will vary due to factors such as purity.
In terms of optical properties, due to the existence of conjugated systems or special electron cloud distribution in the molecular structure, under the irradiation of specific wavelengths of light, it may exhibit absorption or emission phenomena, which can be accurately measured and studied by spectral analysis technology. In addition, its stability is acceptable under certain conditions, but under extreme conditions such as strong oxidants, strong acids, and strong bases, its molecular structure may change, triggering chemical reactions.
What are the common uses of 3,5-dimethyl-4- (2-iodoethyl) isoxazole?
The common pathway of 3,2,5-dimethyl-4- (2-thiazolyl) isoxazole is actually an important issue in organic synthesis. The synthesis of these compounds is often a delicate path of chemical synthesis.
First, the method of constructing heterocycles can be used. First, the structure of thiazole ring and isoxazole ring is built by multi-step reaction with suitable starting materials. For example, small molecules containing heteroatoms such as nitrogen and oxygen are selected, and the skeleton of the target molecule is gradually constructed by nucleophilic substitution, cyclization and other reactions. The starting materials may be halogenated hydrocarbons, amines, carbonyl compounds, etc. Under specific reaction conditions, they interact to gradually form key intermediates, and then generate the required 3,2,5-dimethyl-4- (2-thiazolyl) isoxazole.
Second, the strategy of using transition metal catalysis is also common. Transition metals such as palladium and copper can catalyze various cross-coupling reactions. With thiazolyl-containing halides and isoxazole-containing nucleophiles, coupling occurs under transition metal catalysis to precisely connect the two key structural units. This process requires careful regulation of the reaction conditions such as ligands, bases, and solvents to improve the selectivity and yield of the reaction.
Third, it can also start from the transformation of the functional groups of the raw materials. Through the gradual modification and transformation of the functional groups of the raw materials, the construction of the target molecule can be achieved. For example, the functional groups of the raw materials are first protected and activated, and then cyclization and substitution are carried out in sequence, and finally 3,2,5-dimethyl-4- (2-thiazolyl) isoxazole is generated.
All these pathways require chemists to carefully explore and optimize the reaction conditions in experiments, and consider many factors such as the feasibility, cost, yield and selectivity of the reaction in order to find the most suitable synthetic pathways and achieve the efficient preparation of this compound.
What are the synthesis methods of 3,5-dimethyl-4- (2-iodoethyl) isoxazole
The synthesis method of 3,5-dimethyl-4- (2-cyanoethyl) isoxazole is as follows:
First, the isoxazole ring can be constructed by condensation reaction from suitable starting materials. Usually carbonyl compounds with appropriate substituents and hydroxylamine derivatives are used as raw materials, and condensation occurs under suitable conditions to form isoxazole structures. For example, select carbonyl compounds containing 3,5-dimethyl substitutions, and hydroxylamine derivatives containing cyanoethyl substitutions, in a mild alkaline environment, such as potassium carbonate, in an alcohol solution, heat and stir, so that the nucleophilic addition-elimination reaction occurs between the two to form isoxazole rings. In this process, the alkaline environment prompts the amino group of the hydroxylamine derivative to carry out nucleophilic attack on the carbonyl group, followed by the elimination of water molecules, and the closed-loop formation of isoxazole.
Furthermore, cyanoethyl can be introduced through the nucleophilic substitution reaction of halogenates. If 3,5-dimethyl-4-halogenated isoxazole has been synthesized, it can be reacted with cyanoethylated reagents, such as cyanoethyl magnesium halide (after the Grignard reagent is prepared from halogenated ethane and magnesium, it can be reacted with sodium cyanide), and in anhydrous ether solvents (such as tetrahydrofuran), the halogen atom is replaced by cyanoethyl to obtain the target product. The reaction requires strict control of anhydrous
In addition, a multi-step reaction strategy can also be used. The 3,5-dimethyl isoisozole parent is constructed by other reactions, and then its 4-position is functionalized. For example, 3,5-dimethyl isozole is synthesized from a simple raw material through a multi-step reaction, and then the activity of the 4-position on the isozole ring is used to synthesize 3,5-dimethyl isozole from a simple raw material. Using the activity of the 4-position on the isozole ring, and a suitable cyanoethyl-containing reagent, such as allyl cyanide, under metal catalysis, the cyanoethyl group is introduced into the 4-position through the [2 + 3] cycloaddition reaction, and the final product is 3,5-dimethyl
What are the precautions for the storage and transportation of 3,5-dimethyl-4- (2-iodoethyl) isoxazole?
In the storage and transportation of 3,5-dimethyl-4- (2-cyanoethyl) isoxazole, many key matters need to be paid attention to.
When storing this substance, the first environment should be selected. It should be placed in a cool, dry and well-ventilated place to prevent moisture and deterioration. Due to high humidity, it may cause chemical reactions such as hydrolysis, which will affect the quality. Temperature also needs to be strictly controlled, not too high. Excessive temperature may cause it to decompose or speed up the chemical reaction rate, resulting in failure or formation of dangerous products. It is necessary to keep away from fire and heat sources because it has certain chemical activity and is at risk of fire, hot topic or combustion and explosion.
Furthermore, the storage should be classified and stored. Do not mix with oxidants, acids, alkalis, etc. Because of its special chemical structure, contact with these substances, or violent chemical reactions, or even explosions. The storage area should be equipped with corresponding varieties and quantities of fire-fighting equipment and leakage emergency treatment equipment for emergencies.
In terms of transportation, it is necessary to ensure that the packaging is complete and the loading is secure. If the packaging is damaged, the substance leaks, or pollutes the environment, posing a threat to the transportation personnel. During transportation, the speed should not be too fast, and avoid sudden braking to prevent packaging damage due to vibration and collision. Transportation vehicles should follow the specified route and do not stop in densely populated areas and dangerous areas such as open flames. Transportation personnel must be familiar with the characteristics of the substance and emergency treatment methods. In case of leakage, they can respond quickly and properly.
In short, 3,5-dimethyl-4- (2-cyanoethyl) isoxazole has strict requirements on the environment, packaging, and operating specifications during storage and transportation. Following these points can ensure its safety and quality.