3-OXO-2,3-DIHYDRO-1,2-BENZISOTHIAZOLE-6-CARBOXYLIC ACID 1,1-DIOXIDE

This is the chemical structure analysis of 3-oxo-2,3-dihydro-1,2-benzisothiazole-6-carboxylic acid 1,1-dioxide. Looking at its name, it can be seen that this compound has a complex structure. Its core part is a benzoisothiazole ring, which is formed by fusing a benzene ring with an isothiazole ring. There is a carbonyl group at the 3 position, which is in the state of oxygen generation, which gives this position a specific chemical activity. 2,3-dihydro indicates that the 2 and 3 positions in the ring are single bonds and unsaturated states without double bonds. The 6-carboxylic acid shows that the 6-position of the benzoisothiazole ring is connected with a carboxyl group, which is an acidic group, which affects the acid-base properties and reactivity of the compound. 1,1-dioxide indicates that there are two oxygen atoms connected to the sulfur atom in the isothiazole ring, forming a sulfone structure, which has an important impact on the stability and electron cloud distribution of the compound. Overall, the chemical structure of this compound is composed of a benzoisothiazole ring as a skeleton, with a substituent at a specific position. The interaction of each part determines its unique chemical and physical properties.

3-Oxo-2,3-dihydro-1,2-benzoisothiazole-6-carboxylic acid 1,1-dioxide, this is an organic compound with a wide range of uses and plays an important role in many fields.
In the field of pharmaceutical chemistry, it is often used as a key intermediate. Due to its unique chemical structure, it can be combined with other compounds through a series of chemical reactions to prepare drug molecules with specific biological activities. For example, researchers have found that new derivatives based on the structural modification of this compound exhibit inhibitory activity on specific cancer cells and are expected to be developed into new anti-cancer drugs. By adjusting its peripheral substituents, it can change the interaction between drug molecules and targets, improve drug efficacy and selectivity, and reduce toxic and side effects.
In the field of materials science, this compound also has application potential. Due to its some properties, it can be used to synthesize functional polymer materials. For example, introducing it into the main chain or side chain of the polymer gives the material special optical, electrical or thermal properties. In this way, it is possible to prepare materials with unique luminescent properties for use in organic Light Emitting Diode (OLED) technology to improve the display effect; or to prepare smart materials that are sensitive to specific environmental factors and can change their properties according to external stimuli for use in the field of sensors.
Furthermore, in the field of agricultural chemistry, this compound may be used to develop new pesticides. After modification, it may have insecticidal, bactericidal or herbicidal activities. By virtue of the specific mechanism of action on pests, efficient control can be achieved, while reducing the impact on the environment and non-target organisms. For example, for some common crop pests, new insecticides developed based on this compound can precisely act on the nervous system or physiological metabolic process of pests, effectively control the number of pests, and ensure crop yield and quality.

To prepare 3 - OXO - 2,3 - DIHYDRO - 1,2 - BENZISOTHIAZOLE - 6 - CARBOXYLIC ACID 1,1 - DIOXIDE, there are many methods, and the following are common synthesis paths.
First, it can be started from o-aminobenzoic acid. First, the o-aminobenzoic acid is reacted with appropriate vulcanization reagents, such as carbon disulfide or sulfur phosgene, etc., to obtain benzoisothiazolinone intermediates. This step of the reaction aims to construct the basic skeleton of benzoisothiazolinone. Subsequently, the intermediate is oxidized. The commonly used oxidizing agents are hydrogen peroxide, m-chloroperoxybenzoic acid, etc., whereby the sulfur atom is oxidized to a sulfone group, and then the target product is obtained. The key to this path lies in the control of the conditions of the vulcanization reaction and the selectivity of the oxidation step. During vulcanization, temperature, reaction time and the proportion of reagents all have a significant impact on the reaction yield and product purity. In the oxidation step, appropriate oxidants and reaction conditions need to be selected to ensure that only sulfur atoms are oxidized, and other functional groups are not affected.
Second, o-nitrobenzoic acid can also be used as a raw material. After the reduction reaction, the nitro group is converted into an amino group. The commonly used reducing agents are iron filings-hydrochloric acid, hydrogen-palladium carbon, etc. After obtaining anthranilic acid, the subsequent steps are similar to the above method of starting from anthranilic acid, that is, first sulfurization and then oxidation. In this path, the reduction step needs to pay attention to the degree of reduction to avoid excessive reduction or insufficient reduction. At the same time, the reagents and conditions selected for the reduction reaction will also affect the subsequent reaction.
Others use sulfur-containing aromatic compounds as starting materials. Through a series of nucleophilic substitution, cyclization and oxidation reactions, the synthesis of the target product can also be achieved. The difficulty of this path lies in the synergistic progress of nucleophilic substitution and cyclization reactions. The reaction conditions need to be precisely regulated to promote the reaction to occur in the expected direction and improve the yield of the target product.
All these synthesis methods have their own advantages and disadvantages. In practical application, according to factors such as raw material availability, cost, difficulty in controlling reaction conditions and product purity requirements, comprehensive consideration is required to select the optimal method to efficiently synthesize 3-OXO-2,3-DIHYDRO-1,2-BENZISOTHIAZOLE-6-CARBOXYLIC ACID 1,1-DIOXIDE.

3-Oxo-2,3-dihydro-1,2-benzoisothiazole-6-carboxylic acid 1,1-dioxide, this is a rather unique organic compound. In terms of its physical and chemical properties, let me tell you one by one.
Looking at its physical properties, this compound is often in a solid state or crystalline form at room temperature and pressure. Determination of its melting point is crucial for identification and purity determination. Generally speaking, a specific melting point range can help determine its purity. If there are few impurities, the melting point should be more sensitive and close to the theoretical value; if there are more impurities, the melting point may decrease and the melting range will also become wider.
As for its solubility, it varies in different solvents. In polar organic solvents, such as dimethyl sulfoxide (DMSO), N, N-dimethylformamide (DMF), etc., there may be a certain solubility. Due to the interaction between the polarity of these solvents and the polar groups in the structure of the compound, it can promote its dissolution. However, in non-polar solvents, such as n-hexane and toluene, the solubility may be very small, because the force between the polar part of the molecule and the non-polar solvent is weak.
In terms of its chemical properties, the carbonyl group (3-oxo part) in this compound is quite active. Carbonyl carbon atoms are electrophilic and vulnerable to attack by nucleophiles, which can occur such as nucleophilic addition reactions. For example, with alcohols catalyzed by acids or bases, acetals or hemiacetals can be formed.
Furthermore, the benzoisothiazole ring system also gives it unique chemical properties. The electron cloud distribution of the ring system makes it possible to undergo electrophilic substitution reactions under appropriate conditions, such as halogenation, nitrification, etc. The sulfur atom of the 1,1-dioxide part is in a higher oxidation state, which changes the overall stability of the compound, and can also participate in specific chemical reactions, or can participate in some reaction processes as an electrophilic reagent.
Its carboxyl group part is acidic. In aqueous solution, ionization can occur, releasing hydrogen ions, so it can neutralize with the base to form the corresponding carboxylate. The properties of this carboxylate are different from the original compound, and the solubility in water may increase. In some chemical reactions, as an intermediate or product, it exhibits different chemical behaviors.

I don't know the price of "3 - OX O - 2,3 - DIHYDRO - 1,2 - BENZISOTHIAZOLE - 6 - CARBOXYLIC ACID 1,1 - DIOXIDE" in the market. This is a specific substance for the chemical profession, and its price often varies due to a variety of factors.
First, purity has a great impact. If the purity is very high, it is suitable for high-end scientific research experiments, and the price is high; if the purity is slightly lower, it is used for general industrial use, and the price may be slightly reduced.
Second, market supply and demand are also key. If there are many people who want it, but the supply is limited, the price will rise; if the supply exceeds the demand, the price will decline.
Third, the complexity of the production process is related to cost and price. If the preparation requires complicated steps, special raw materials or harsh conditions, the cost is high and the price is also high.
Fourth, brand differences also have an impact. Well-known brands win by quality and reputation, and the product price may be higher than others.
To know the exact price, you can consult chemical reagent suppliers, chemical product trading platforms, or procurement personnel of relevant scientific research institutions. However, it is difficult for me to determine the price at the moment, because there is a lack of specific market information and research.