What is the chemical structure of 3-chloro-N- (5-dimethyl-3-oxo-2-phenyl-2, 3-dihydro-1H-pyrazol-4-yl) -6-fluoro-1-benzothiophene-2-carboxamide?

This is an organic compound named 3-chloro-N- (1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-yl) -6-fluoro-1-benzothiophene-2-formamide. Its chemical structure is as follows:
molecule contains 1-benzothiophene main nucleus, which is a five-membered heterocyclic ring fused with sulfur and benzene ring, and has a formamide group at the 2-position, that is, a -CONH-group, and the nitrogen atom of the formamide group is connected to another part. The presence of fluorine atoms at the 6-position and chlorine atoms at the 3-position affects the electron cloud distribution and physicochemical properties of the molecule.
Formamido is connected to 1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-yl. The pyrazole ring is a five-membered heterocyclic ring containing two adjacent nitrogen atoms. 2,3-dihydro indicates that the 2,3-position of the pyrazole ring is a single bond, the 3-position oxygen atom is connected in the form of carbonyl, the 1-position and 5-position each have a methyl substitution, and the 2-position is a phenyl substitution.
In summary, the structure of this compound is composed of 1-benzothiophene, formamide group and 1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-yl and other structural units. The structure of each part affects each other, giving the compound unique physical, chemical and biological activities.

What are the physical properties of 3-chloro-N- (5-dimethyl-3-oxo-2-phenyl-2, 3-dihydro-1H-pyrazol-4-yl) -6-fluoro-1-benzothiophene-2-carboxamide?

This is an organic compound with a long and complicated name, composed of many groups. 3-Chloro-N - (1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-yl) -6-fluoro-1-benzothiophene-2-formamide, its physical properties are unique.

View its structure, containing benzothiophene, pyrazole and other cyclic structures, such structures endow compounds with certain stability and special physical properties. In terms of melting point, due to the existence of various forces between molecules, such as van der Waals force, hydrogen bond (if there are groups that can form hydrogen bonds), the melting point may be within a certain range. Containing halogen atoms such as chlorine and fluorine, the polarity of the molecule changes, affecting its solubility. Generally speaking, the solubility of this compound in organic solvents such as dichloromethane and chloroform is better than that in water, because water is a strong polar solvent, and this compound is not extremely polar due to the existence of cyclic structure and halogen atoms.

And because it contains a variety of conjugate systems, in terms of optical properties, or has certain ultraviolet absorption characteristics, it can exhibit absorption peaks at specific wavelengths, which can be used for qualitative and quantitative analysis. In addition, the molecular mass is determined by the accumulation of the relative atomic mass of each atom, which also affects its density and other properties. Overall, its physical properties are influenced by the interaction of groups in complex structures, and these properties need to be carefully considered in the research of organic chemistry and related fields.

What are the application fields of 3-chloro-N- (5-dimethyl-3-oxo-2-phenyl-2, 3-dihydro-1H-pyrazol-4-yl) -6-fluoro-1-benzothiophene-2-carboxamide?

3 - chloro - N - (1,5 - dimethyl - 3 - oxo - 2 - phenyl - 2,3 - dihydro - 1H - pyrazol - 4 - yl) - 6 - fluoro - 1 - benzothiophene - 2 - carboxamide is an organic compound with wide uses in the field of pharmaceutical research and development.

First, in anti-tumor research, such compounds may have potential activity. Some structural analogs have been shown to inhibit the proliferation of specific tumor cells, and affect the growth and survival of tumor cells by regulating related signaling pathways. It may act on the protein targets of the internal bonds of tumor cells, block the growth signal transduction of tumor cells, and then induce tumor cell apoptosis.

Second, in the field of anti-inflammatory, such compounds may exhibit certain anti-inflammatory properties. Inflammation involves the release of many cytokines and inflammatory mediators. The compound may reduce the production of inflammatory mediators by inhibiting the activity of some inflammation-related enzymes, such as cyclooxygenase (COX), thereby reducing the inflammatory response.

Third, there are also potential applications in neuroprotection. Neurological diseases such as Alzheimer's disease and Parkinson's disease are closely related to the damage and inflammatory response of nerve cells. This compound may play a protective role in nerve cells and delay the progression of neurodegenerative diseases by virtue of its anti-inflammatory and intracellular signaling pathways.

Fourth, in the agricultural field, some structurally similar fluorine-containing and chlorine-containing organic compounds can be used as pesticides. Or have insecticidal and bactericidal activities, and achieve the purpose of controlling pests and diseases by interfering with the physiological processes of pests or pathogens.

However, it should be noted that although the compound has the above potential application fields, it still needs a lot of experimental research before practical application to clarify its specific mechanism of action, biological activity and safety and other key indicators, in order to achieve its effective application in various fields.

What is the synthesis method of 3-chloro-N- (5-dimethyl-3-oxo-2-phenyl-2, 3-dihydro-1H-pyrazol-4-yl) -6-fluoro-1-benzothiophene-2-carboxamide?

To prepare 3-chloro-N- (1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-yl) -6-fluoro-1-benzothiophene-2-formamide, the method is as follows:

First take an appropriate amount of 1-benzothiophene-2-carboxylic acid, place it in a reaction kettle with a chlorination reagent, control the temperature and stir. The chlorination reagent can be thionyl chloride, etc. During the reaction, the chlorination change occurs in the kettle to obtain 6-fluoro-1-benzothiophene-2-formyl chloride. This process needs to pay attention to the rise and fall of temperature. If the temperature is too high, it may cause side reactions and cause impure products.

Take another 1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-amine and place it in a suitable solvent, such as dichloromethane, N, N-dimethylformamide, etc. Then the obtained 6-fluoro-1-benzothiophene-2-formyl chloride is slowly dripped into it, and an appropriate amount of acid binding agent, such as triethylamine, is added. The dripping process should be slow to prevent overreaction. The acid binding agent can be combined with the acid generated by the reaction to promote the reaction to proceed in the direction of amide formation.

After the dropwise addition is completed, continue to stir and react at an appropriate temperature for several hours. After the reaction is completed, the impurities are removed by conventional separation and purification methods, such as extraction, column chromatography, etc., to obtain pure 3-chloro-N- (1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-yl) -6-fluoro-1-benzothiophene-2-formamide products. During the operation, each step must be fine to obtain high-purity products.

What are the safety precautions for 3-chloro-N- (5-dimethyl-3-oxo-2-phenyl-2, 3-dihydro-1H-pyrazol-4-yl) -6-fluoro-1-benzothiophene-2-carboxamide?

3-Chloro-N - (1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-yl) -6-fluoro-1-benzothiophene-2-formamide is a complex organic compound. Many matters should be paid attention to regarding its safety.

First, toxicity. This compound has a unique structure and its chemical group may be potentially toxic. Contact with the skin, or irritation, can cause skin redness, itching, and rash. If accidentally inhaled, or damage the respiratory tract, causing coughing, asthma, and even breathing difficulties. If eaten by mistake, it may injure the digestive system, causing nausea, vomiting, and abdominal pain. Therefore, when operating, you must be fully armed, wearing protective clothing, gloves, and masks.

Second, environmental impact. In the environment, its degradation process and products are unknown. If it is released at will, or it remains in soil and water bodies, endangering the ecology. Or it is toxic to aquatic organisms and destroys the ecological balance of water. Therefore, the waste after use needs to be disposed of in accordance with environmental protection regulations.

Third, the stability is questionable. React under specific conditions, such as high temperature, strong light, acid-base environment, or instability. Or release harmful gases, or generate new harmful substances. When storing, it should be placed in a cool, dry, dark place, and away from fire, heat and acid and alkali substances.

Fourth, the compatibility is complex. Mix with different chemical substances, or react violently. In experiments or production, before mixing with other reagents, be sure to understand the compatibility. Without testing, do not mix at will to avoid explosions, fires and other accidents.

Operate this compound with caution and strictly follow safety procedures to prevent harm to people and the environment.