4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)-1H-imidazole-1-sulfonamide

This is an investigation into the chemical structure of 4-chloro-2-cyano-N, N-dimethyl-5- (4-methylphenyl) -1H-imidazole-1-sulfonamide. This compound, from its naming analysis, has an imidazole ring as the core structure. At position 1, there are sulfonamide groups, namely -SO 2O NHCH, and two methyl groups are attached to the nitrogen atom in the state of N, N-dimethyl. At position 2, cyano-CN is firmly connected, which has high chemical activity and can be used as a key check point in many reactions. The chlorine atom-Cl at the 4th position is stable, and because of its electronegativity, it has a great influence on the distribution and reactivity of molecular electron clouds. The 4-methylphenyl group at the 5th position is a benzene ring with methyl substitution at the para-position. This benzene ring structure increases the steric barrier of the molecule, and also affects the physical and chemical properties such as molecular hydrophobicity. In this way, each group constructs this complex and delicate chemical structure according to a specific position and connection method. The interaction of each group determines the unique physical, chemical and biological activity characteristics of the compound.

4-Chloro-2-cyano-N, N-dimethyl-5- (4-methylphenyl) -1H-imidazole-1-sulfonamide, this is an organic compound. Looking at its structure, it has chlorine atoms, cyano groups, dimethyl groups, methyl phenyl groups and imidazole sulfonamides, and many characteristics are derived from this structure.
First, its physical properties are mentioned. It may be solid under normal conditions, but it is only speculated based on the structure and similar compounds. Because it contains aromatic and heterocyclic structures, the intermolecular force is enhanced, so it is quite likely to be solid. As for the melting point, the interaction between aromatic rings and heterocycles, coupled with the influence of polar groups, or the melting point is higher. However, the exact melting point needs to be determined experimentally, because the position and properties of the substituents will have subtle effects on it.
In terms of solubility, the molecule contains polar cyano and sulfonamide groups, which may have a certain solubility in polar solvents such as methanol, ethanol, and dimethyl sulfoxide. However, it also contains non-polar aromatic rings and methyl groups, which may also be slightly soluble in non-polar solvents such as n-hexane and toluene. The overall solubility depends on the balance of polar and non-polar parts.
In addition, its stability, cyano and chlorine atoms are connected to imidazole rings, and its chemical properties may be relatively active. Cyanyl groups can participate in reactions such as nucleophilic addition and hydrolysis; chlorine atoms may undergo substitution reactions under suitable conditions. In acidic or alkaline environments, sulfonamide groups may also hydrolyze. Therefore, it is necessary to pay attention to the environment during storage, avoiding acid and alkali, high temperature and strong oxidants to ensure its stability.
In terms of odor, due to the complex structure and containing a variety of groups, or with a special odor, the specific odor properties are difficult to determine by structure alone, and sensory perception is really required.
In summary, although its physical properties can be preliminarily inferred according to the structure, the accurate data still depend on experimental determination. Its structure endows many potential chemical and physical properties, which need to be carefully investigated in synthesis and application research.

4-Chloro-2-cyano-N, N-dimethyl-5- (4-methylphenyl) -1H-imidazole-1-sulfonamide, this drug is often known by its trade name "torvaptan". Its use is quite extensive, mainly for the treatment of some specific water and sodium metabolism disorders in clinical practice.
This drug can be used for hyponatremia caused by congestive heart failure. When heart failure occurs, the balance of water and sodium in the body is out of balance, and patients often experience hyponatremia. Torvaptan can specifically act on the arginine vasopressin V2 receptor on the renal collecting duct to inhibit the reabsorption of water, thereby increasing the blood sodium concentration, relieving the extra burden caused by hyponatremia to the heart, and improving the symptoms and prognosis of patients with heart failure.
Furthermore, hyponatremia accompanied by cirrhosis is also the place for this drug. Patients with cirrhosis have impaired liver function, which can easily lead to endocrine and metabolic disorders in the body, which in turn can lead to hyponatremia. Torvaptan can promote the excretion of free water, correct hyponatremia, help improve the stability of the internal environment of patients with liver cirrhosis, and reduce the risk of serious complications such as hepatic encephalopathy induced by hyponatremia.
In addition, the drug is also indispensable in the treatment of hyponatremia caused by syndrome of abnormal secretion of antidiuretic hormone (SIADH). SIADH can cause inappropriate secretion of antidiuretic hormone in the body, resulting in water retention and hyponatremia. Torvaptan breaks this abnormal water reabsorption process by blocking the V2 receptor, prompting excess water to be excreted from the body, effectively correcting hyponatremia and restoring the normal water-electrolyte balance of the body.

The synthesis of 4-chloro-2-cyano-N, N-dimethyl-5- (4-methylphenyl) -1H-imidazole-1-sulfonamide is an important topic in the field of organic synthesis. To obtain this compound, common methods follow the basic principles of organic reaction, and carefully follow specific steps.
First, suitable starting materials need to be prepared. Usually imidazole compounds containing specific substituents, halogens, cyanides and dimethylamines are used as binders. First, take the imidazole derivative containing a suitable substituent. This derivative needs to reserve a reaction check point at a specific position to facilitate subsequent reactions.
Then, the halogenation reaction is very important. The imidazole derivative reacts with the halogenated reagent containing chlorine under suitable conditions. For example, in an appropriate solvent, control the temperature and reaction time, so that the chlorine atom precisely replaces the hydrogen atom at a specific position on the imidazole ring to form a 4-chlorine-substituted imidazole intermediate. In this process, the choice of solvent is of paramount importance, and its solubility to the reactants and products needs to be considered, and no side reactions with the reactants occur.
Then, the cyanidation step is also indispensable. 2-Cyano-4-chlorimidazole derivatives are obtained by introducing a cyanide group into the imidazole intermediate with a suitable cyanide reagent. The control of the conditions of this reaction is extremely critical. The activity of the cyanide reagent is high, and caution is required during operation to avoid unnecessary side reactions.
Furthermore, the N, N-dimethylation reaction also needs to be carefully regulated. Using dimethylamine as a reagent, under the action of an appropriate catalyst, the nitrogen atom of the imidazole derivative undergoes a substitution reaction with dimethylamine to form N, N-dimethylation products. The type and amount of catalyst have a great impact on the reaction rate and selectivity, and need to be carefully screened and optimized.
As for the introduction of 5- (4-methylphenyl), it is often combined with the aforementioned imidazole derivatives by a reagent containing 4-methylphenyl through nucleophilic substitution or coupling reaction. This step requires precise control of the reaction conditions to ensure that 4-methylphenyl is precisely connected to the 5-position imidazole ring.
Finally, after sulfonamidation, the nitrogen atom in the 1-position reacts with sulfonyl chloride and other reagents to form a 1-sulfonamide structure, and finally obtains 4-chloro-2-cyano-N, N-dimethyl-5- (4-methylphenyl) -1H-imidazole-1-sulfonamide. After the reaction, it needs to be separated and purified to obtain high-purity target products. During separation, methods such as column chromatography and recrystallization are often used according to the physical and chemical properties of the products and impurities.

4-Chloro-2-cyano-N, N-dimethyl-5- (4-methylphenyl) -1H-imidazole-1-sulfonamide, this is a complex organic compound. Regarding its safety precautions, let me elaborate.
First of all, this substance has potential chemical toxicity. Because it contains chlorine, cyano and other groups, contact with the human body or inhalation of its dust and vapor can be harmful to health. If you accidentally come into contact with the skin, rinse with plenty of water as soon as possible. If you feel unwell, you need to seek medical attention immediately. If it splashes into the eyes, it should be rinsed with a large amount of flowing water immediately, and seek medical attention as soon as possible to prevent eye damage.
Secondly, in terms of storage, it must be placed in a cool, dry and well-ventilated place. Due to its active chemical nature, it may be dangerous in case of heat, open flame or oxidant. Keep away from fire, heat sources, and do not mix with strong oxidants, acids, etc., to prevent chemical reactions that cause fire or explosion.
Furthermore, during operation, protective measures should be taken. Operators should wear professional protective clothing, protective gloves and goggles, and gas masks if necessary. The operating environment should be well ventilated to prevent vapor accumulation. After operation, the site should be cleaned up in time to avoid harm caused by residual substances.
In addition, caution is also required when transporting. Relevant regulations need to be followed and properly packaged to ensure that there is no risk of leakage during transportation. Transportation vehicles should be equipped with corresponding emergency treatment equipment, just in case.
In short, this compound should be treated with caution, strictly follow safety operating procedures, and must not be taken lightly, so as to ensure that personnel safety and the environment are not endangered.