3-oxo-5-sulfanyl-2,3-dihydroisothiazole-4-carboxylic acid

3 - oxo - 5 - sulfanyl - 2,3 - dihydroisothiazole - 4 - carboxylic acid, which is the name of an organic compound. According to the naming rules of organic chemistry, its structure should contain the following characteristics:
The core of this compound is an isothiazole ring, which is composed of sulfur, nitrogen heteroatoms and carbon atoms to form a five-member heterocyclic ring system. "2,3 - dihydro" The carbon atoms at the 2nd and 3rd positions of the epithiazole ring are single bonds, not double bonds, and are partially hydrogenated. "3 - oxo" is shown in the 3rd position of the isothiazole ring with a carbonyl group (C = O), which gives the compound specific chemical activity and reaction characteristics. " 5-Sulfanyl "indicates that there is a sulfyl group (-SH) at the 5th position of the ring, and the existence of the sulfyl group also significantly affects the properties of the compound, such as participating in redox reactions. And" 4-carboxylic acid "states that there is a carboxyl group (-COOH) at the 4th position of the ring, and the carboxylic group is acidic, which can participate in many acid-base reactions and ester reactions.
In summary, the chemical structure of 3-oxo-5-sulfanyl-2,3-dihydroisothiazole-4-carboxylic acid is based on a partially hydrogenated isothiazole ring with a carbonyl group at 3, a mercapto group at 5, and a carboxylic group at 4. This structure endows the compound with unique chemical properties and reactivity.

3-Oxo-5-mercapto-2,3-dihydroisothiazole-4-carboxylic acid has many physical properties. Its color state or crystalline solid is relatively stable under normal conditions. Looking at its solubility, it may have a certain solubility in polar solvents such as water, because there are carboxyl and other polar groups in the molecule, which can interact with water molecules. However, in non-polar solvents, such as alkane solvents, the solubility is quite low.
When it comes to the melting point, it has been experimentally determined that it is about a specific temperature range. This temperature is the critical temperature at which the molecular lattice structure is destroyed and the solid state is converted to a liquid state, reflecting the strength of intermolecular forces. Its boiling point also has a specific value. At this temperature, the substance changes from liquid to gaseous state, and this process needs to overcome the attractive forces between molecules and external pressures.
This density is a specific value, reflecting the mass of the substance contained in a unit volume. Its refractive index is also characterized. This parameter is related to the degree of refraction of light as it propagates in the substance, and is related to the molecular structure of the substance and the distribution of electron clouds.
In addition, the stability of the compound is also an important physical property. Under common conditions, the chemical structure remains stable. However, when extreme conditions such as high temperature, strong acid, and strong alkali are encountered, or structural changes are caused, its physical properties will also change.
In summary, the physical properties of 3-oxo-5-mercapto-2,3-dihydroisothiazole-4-carboxylic acids are determined by their molecular structure and have a key impact on their application in various fields.

3-Oxo-5-sulfanyl-2,3-dihydroisothiazole-4-carboxylic acid, Chinese name or 3-oxo-5-mercapto-2,3-dihydroisothiazole-4-carboxylic acid. This compound is quite versatile and can be used as a key intermediate for the synthesis of many biologically active drug molecules in the field of medicinal chemistry. For example, in the development of new therapeutic drugs for specific diseases, its structural properties can help to construct compounds with high affinity for disease-related targets, which in turn play a key role in the treatment of diseases.
In the field of materials science, it may be able to participate in the preparation of special functional materials. For example, it can be introduced into the polymer material system through chemical reactions, giving the material unique chemical properties, such as improving the antioxidant properties of the material, enhancing the interaction between the material and specific substances, etc., so that the material shows unique advantages in fields such as sensors, separation membranes, etc.
In agricultural chemistry, it has the potential to become an important raw material for the synthesis of new pesticides. With its chemical structure, it can be designed and synthesized to have an efficient control effect on crop diseases and pests, while having a small impact on the environment. Green pesticides contribute to the sustainable development of agriculture.
In addition, in organic synthetic chemistry, it can be used as a multi-functional synthetic building block, with its various reaction check points, react with various organic reagents, realize the construction of complex organic compounds, and expand the path and method of organic synthesis.

The synthesis methods of 3-oxo-5-mercapto-2,3-dihydroisothiazole-4-carboxylic acids may include the following.
First, start with sulfur-containing compounds and raw materials with carbonyl and nitrogen heterocyclic structures. First, the sulfur-containing reagent interacts with a specific enone derivative, and through the nucleophilic addition step, the sulfur atom is ingeniously integrated into the target molecular structure. This process requires delicate control of reaction conditions, such as temperature, pH and reaction time. If the temperature is too high, or side reactions occur, the product is impure; if the temperature is too low, the reaction will be slow and take a long time. The pH is also related to the reaction process, and precise formula adjustment can make the reaction smooth. After the nucleophilic addition is completed, or the cyclization reaction is completed, the basic structure of the isothiazole ring is formed. This cyclization step may require the help of a specific catalyst to reduce the activation energy of the reaction and accelerate the progress of the reaction.
Second, or from the construction of the isothiazole ring, the compound with the initial prototype of the isothiazole ring can be prepared first, and then the oxygen and sulfhydryl functional groups are introduced at specific positions on the ring. At the beginning of the synthesis, the appropriate nitrogen source and sulfur source are selected, and the basis of the isothiazole ring is established through the condensation reaction. Then, by means of oxidation and vulcanization, the oxygen and sulfhydryl groups are introduced at the predetermined positions respectively. In the oxidation reaction, a suitable oxidant needs to be selected, and its oxidation ability and selectivity should be considered to ensure that oxidation occurs only at the target position without affecting other parts of the molecule. The same is true for the vulcanization reaction, and a suitable vulcanization reagent is selected to precisely introduce thiol groups.
Third, the intracolecular cyclization rearrangement reaction can also be used. Select a precursor with a specific structure, which should contain potential functional groups that can be cyclized and rearranged. Under specific conditions, such as high temperature and specific catalysts, the intracolecular rearrangement and cyclization occur, and the core structure of the target molecule is constructed in one step, and then modified to improve the overall structure of 3-oxo-5-mercapto-2,3-dihydroisothiazole-4-carboxylic acid. Although this approach is simple, it requires high control of precursor design and reaction conditions, and requires careful consideration of various factors to achieve efficient synthesis.

3-Oxo-5-mercapto-2,3-dihydroisothiazole-4-carboxylic acid is a rather special chemical substance, and many points must be paid attention to during storage and transportation.
Bear the brunt, the storage environment is crucial. This substance is extremely sensitive to temperature and humidity, and should be stored in a cool, dry place. The temperature should be maintained at 5 ° C to 25 ° C, and the humidity should be controlled between 40% and 60%. If the temperature is too high, it may cause decomposition reactions and change its chemical properties; if the humidity is too high, it is easy to cause deliquescence, which affects its purity and quality.
Furthermore, because it contains special chemical groups and has certain chemical activity, it is necessary to avoid contact with oxidants, strong bases and other substances. When oxidants meet it, it is easy to trigger oxidation reactions and destroy its molecular structure; strong bases interact with it, or cause adverse reactions such as acid-base neutralization, resulting in its failure. When storing, it should be stored separately from such substances, and ensure that the storage container is well sealed to prevent reactions with air components.
When transporting, the packaging must be firm. Choose suitable packaging materials, such as plastic containers or glass containers with good sealing and corrosion resistance, and protect them with buffer materials to prevent packaging damage due to collision and vibration during transportation. At the same time, the transportation process must also strictly control the environmental conditions, maintain a stable temperature and humidity, and avoid exposure to the sun and rain.
In addition, whether it is storage or transportation, it is necessary to make corresponding labels. Clearly mark the name, nature, hazard precautions, etc. of the substance, so that relevant personnel can clarify its characteristics, follow the corresponding safety procedures during operation, prevent accidents, and ensure the safety of personnel and material integrity.