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What is the chemical structure of 2- (propan-2-yl) -1,3-thiazole-4-carboxylic acid?
2-%28propan-2-yl%29-1%2C3-thiazole-4-carboxylic acid is 2 - (isopropyl) -1,3 -thiazole-4 -carboxylic acid. The structure of this compound contains a thiazole ring, which is a five-membered heterocyclic ring composed of a sulfur atom and a nitrogen atom at the 1,3 - position. In the 2 - position of the thiazole ring, there is an isopropyl group, which is a branched chain structure of three carbon atoms, and the middle carbon atom is connected to the thiazole ring. In the 4 - position of the thiazole ring, there is a carboxyl group, which is connected by a carbonyl group and a hydroxyl group. Overall, this compound takes the thiazole ring as the core structure and connects specific groups at different positions to form a unique chemical structure. With this structure, it has specific chemical properties and reactivity.
What are the physical properties of 2- (propan-2-yl) -1,3-thiazole-4-carboxylic acid
2-%28propan-2-yl%29-1%2C3-thiazole-4-carboxylic acid is 2- (isopropyl) -1,3-thiazole-4-carboxylic acid, which is an organic compound. Its physical properties are quite unique, as detailed below:
- ** Appearance properties **: Under normal conditions, it is mostly white to white crystalline powder. Just like the purity of snow, the powder is delicate, and it seems to be flickering under light, and the texture is delicate. This shape is convenient for observation and subsequent experimental operations.
- ** Melting point **: The melting point is about 145-149 ° C. In this range, under a specific temperature environment, the substance will undergo a transition from solid to liquid. Like ice and snow melting when warm, the temperature reaches this range, the lattice structure of the compound gradually disintegrates, the molecular activity intensifies, and then melts into a liquid state. This property is of great significance for the identification of the purity of the compound. The higher the purity, the closer the melting point is to the theoretical value, and the narrower the melting range.
- ** Solubility **: In organic solvents, such as methanol, ethanol, dichloromethane, etc., it exhibits good solubility. Like a fish getting water, the molecules interact with the solvent molecules and disperse them uniformly. However, the solubility in water is poor, because its molecular structure contains hydrophobic groups, and the affinity with water molecules is weak, just like oil and water are difficult to melt. This difference in solubility is a key consideration when separating compounds, purifying compounds, and selecting reaction solvents.
- ** Stability **: Under normal conditions, it has certain stability. However, in case of strong acids and alkalis, it is like a fragile boat encountering strong winds and waves, and the structure is easily damaged and chemical reactions occur. High temperature and high humidity environments may also affect its stability, such as long-term storage in humid and hot places, or intermolecular rearrangement and decomposition due to water molecule intervention and temperature action. Therefore, when storing, it should be placed in a dry, cool and well-ventilated place and properly stored to maintain its chemical structure and properties stability.
What is the main use of 2- (propan-2-yl) -1,3-thiazole-4-carboxylic acid?
2-% (propan-2-yl) -1,3-thiazole-4-carboxylic acid, that is, 2- (isopropyl) -1,3-thiazole-4-carboxylic acid, is widely used. In the field of medicinal chemistry, it is often a key intermediate for the creation of a variety of specific drugs. Due to the unique biological activity of the thiazole ring structure, the compound can build a molecular structure with specific pharmacological activity. For example, for the treatment of specific diseases, through structural modification and modification, it can optimize the efficacy of drugs and reduce toxic and side effects, thus contributing greatly to human health and well-being.
In the field of materials science, this compound is also useful. Or it can participate in the preparation of materials with special properties, such as optical materials, electrical materials, etc. Due to its specific chemical structure and properties, it can endow materials with novel properties, such as unique light absorption and emission properties, making materials stand out in the field of optical devices; or it can affect the electrical properties of materials, contributing to the development of electronic devices.
In the field of organic synthesis, 2- (isopropyl) -1,3-thiazole-4-carboxylic acids are important synthetic building blocks. Organic chemists can use it to perform various organic reactions and build more complex and diverse organic molecules. By cleverly reacting with other organic reagents, the complexity and diversity of molecular structures can be expanded, providing strong support for the progress of organic synthetic chemistry and enabling the synthesis of more organic compounds with potential application value.
What are the synthesis methods of 2- (propan-2-yl) -1,3-thiazole-4-carboxylic acid
To prepare 2 - (isopropyl) -1,3 -thiazole-4 -carboxylic acid, there are many methods, each has its own advantages and disadvantages, and should be selected according to the actual situation.
First, use a compound containing a thiazole ring as the starting material. First take an appropriate 1,3-thiazole derivative, which needs a modifiable group at the 4-position of the thiazole ring, such as a halogen atom or an ester group. If it is a halogen atom, it can be reacted with isopropylation reagents, such as Grignard reagents such as isopropyl magnesium halide, by means of nucleophilic substitution. This reaction requires an anhydrous and oxygen-free inert environment, such as nitrogen protection, using anhydrous ethyl ether or tetrahydrofuran as a solvent, regulating the temperature between low temperature and room temperature, so that the halogen atom is replaced by isopropyl group. If it is an ester group later, it can be hydrolyzed, and the ester group can be converted into a carboxyl group under the catalysis of acid or base. When catalyzed by acid, dilute sulfuric acid or hydrochloric acid is commonly used to react under heating reflux conditions; when catalyzed by base, sodium hydroxide or potassium hydroxide solution is used to react and then acidify to obtain the target product.
Second, start with the construction of thiazole ring. Using β-ketone thioamide and haloacetone as raw materials. First, β-ketone thioamide and halogenated acetone, such as 2-halogenated acetone, are heated under alkaline conditions, such as potassium carbonate or sodium carbonate in an alcoholic solution. The alkaline environment prompts the sulfur atom of β-ketone thioamide to undergo nucleophilic substitution of the halogenated atom of halogenated acetone, and then the inner molecule is cyclized to form a thiazole ring. This step requires attention to the reaction temperature and time to prevent side reactions. After the thiazole ring is formed, if the product has a modifiable group at the 4-position, then the isopropyl group is introduced and converted into a carboxyl group through substitution, hydrolysis, etc. according to the above method.
Third, the biosynthetic method is used. It is possible to find microorganisms or enzymes with specific enzyme systems, with specific substrates, under mild reaction conditions, such as close to normal temperature and pressure, neutral pH environment, and use enzymes to catalyze specific synthesis of target products. However, this approach requires screening or modifying suitable biocatalysts first, and the biosynthesis process is easily affected by various factors such as culture conditions and substrate concentration, and needs to be carefully regulated.
2- (propan-2-yl) -1,3-thiazole-4-carboxylic acid during storage and transportation
2-%28propan-2-yl%29-1%2C3-thiazole-4-carboxylic acid is 2- (isopropyl) -1,3-thiazole-4-carboxylic acid. When storing and transporting this product, pay attention to many matters.
One is related to storage. Because of its nature or more active, it needs to be placed in a cool and dry place. If the environment is humid, water vapor is easy to interact with it, or cause it to react such as hydrolysis, which will damage its purity and quality. And the temperature should not be too high. Under high temperature, molecular activity will increase, or cause undesirable changes such as decomposition. It should be stored in a closed container to prevent contact with oxygen, carbon dioxide and other gases in the air. Due to the oxidation reaction of some groups of the compound or with oxygen, the interaction with carbon dioxide or the formation of new products is not conducive to its stable preservation.
Second, when transporting, the packaging must be solid and reliable. Choose suitable packaging materials, such as chemical resistant plastic or glass containers, tightly sealed to prevent leakage. During transportation, there will inevitably be bumps and vibrations. If the packaging is not good, the compound is easy to spill, which not only causes losses, but also may cause harm to the environment and transportation personnel. At the same time, the transportation environment should also be controlled to avoid exposure to sunlight and high temperature, and to be isolated from other substances that may react with it. Such as strong oxidants, strong alkalis and other substances, coexist with them, or cause violent reactions, endangering transportation safety. Therefore, during the storage and transportation of 2 - (isopropyl) - 1,3 - thiazole - 4 - carboxylic acids, care must be taken and strict regulations must be followed to ensure their quality and safety.