What is the chemical structure of (1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-yl) ({4- [ (6-methoxypyridazine-3-yl) aminosulfonyl] phenyl} amino) methanesulfonic acid
This compound is named (1,5-dimethyl-3-oxo-2-benzyl-2,3-dihydro-1H-indole-4-yl) ({4- [ (6-methoxypyridine-3-yl) carbamoyl] benzyl} carbamoyl) acetic acid, and its chemical structure is resolved as follows:
1. The main structure is acetic acid, that is, the structural framework of\ (CH_3COOH\), in which a hydrogen atom is replaced by a complex group.
2. One of the substituents is (1,5-dimethyl-3-oxo-2-benzyl-2,3-dihydro-1H-indole-4-yl), this part of the structure is based on the indole ring, with methyl substitution at the 1,5 position, an oxo group at the 3 position (i.e. carbonyl\ (C = O\)), a benzyl group at the 2 position (\ (C_6H_5CH_2 -\)), and a dihydrogen structure between the 2 and 3 positions.
3. Another substituent is ({4- [ (6-methoxypyridine-3-yl) carbamoyl] benzyl} carbamoyl), which consists of several parts. The first is the benzyl part, where the counterpoint of the benzyl group is connected to an aminoformyl group, which in turn is connected to a structure containing a 6-methoxypyridine-3-group, in which the 6-position of the pyridine ring is methoxy (\ (- OCH_3\)), and the 3-position is connected to the benzyl group through the carbamoyl group. Overall, the compound structure is relatively complex, composed of acetic acid matrix connecting two large groups with a specific substitution mode, and each group is interconnected to form a unique space and chemical properties.
What are the physical properties of (1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-yl) ({4- [ (6-methoxypyridazine-3-yl) aminosulfonyl] phenyl} amino) methanesulfonic acid
(1,5-dimethyl-3-oxo-2-benzyl-2,3-dihydro-1H-indole-4-yl) ({4- [ (6-methoxypyridine-3-yl) aminoformyl] benzyl} aminoformyl) acetic acid, the physical properties of this substance are as follows:
Its properties may be crystalline solids, and the molecular structure contains a variety of polar and non-polar groups, resulting in complex intermolecular forces. In terms of melting point, due to the action of intramolecular hydrogen bonds and van der Waals forces, it will be in a specific temperature range, but the specific value needs to be accurately determined by experiments.
In terms of solubility, given that the molecule contains polar groups such as methoxy, carbonyl, and aminoformyl, it may have a certain solubility in polar solvents such as methanol, ethanol, and dimethyl sulfoxide; however, benzyl and other non-polar parts make it limited in non-polar solvents such as n-hexane and toluene.
Density is also affected by molecular structure and accumulation mode. Theoretical calculations may need to consider factors such as atomic weight, molecular volume, and crystal form. In fact, experimental measurement is also required.
In addition, it may have specific optical properties due to the conjugated system in the molecule, such as absorption and emission phenomena under specific wavelength light, which can be used for spectral analysis and identification. However, due to the inclusion of ionizable groups, they may exhibit different dissociation states in different pH solutions, which affects their physical and chemical behaviors.
What is the use of (1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-yl) ({4- [ (6-methoxypyridazine-3-yl) aminosulfonyl] phenyl} amino) methanesulfonic acid
(1,5-Dimethyl-3-oxo-2-benzyl-2,3-dihydro-1H-indole-4-yl) ({4- [ (6-methoxypyridine-3-yl) oxybenzyl] benzyl} oxy) acetic acid, this is an organic compound. It has a wide range of uses in the field of medicine and is often used as an intermediate in drug synthesis. With the help of specific chemical reactions, its structure can be modified and transformed to prepare drug molecules with specific pharmacological activities. For example, some drugs with anti-tumor and anti-inflammatory effects may play a key role in the research and development process.
In the field of materials science, such organic compounds may be used to synthesize materials with special properties. Due to their unique molecular structure, they may endow materials with specific optical, electrical or mechanical properties, such as in the synthesis of organic optoelectronic materials, they may participate in the construction of conjugated systems, thereby affecting the photoelectric conversion efficiency and other properties of materials.
In the field of chemical research, as a compound with specific structures, it can be used to explore the mechanism of chemical reactions. By using it as a substrate to carry out various reactions, in-depth study of reaction conditions, reaction paths and product selectivity provides important experimental basis and data support for the development of organic chemistry theory.
What are the synthesis methods of (1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-yl) ({4- [ (6-methoxypyridazine-3-yl) aminosulfonyl] phenyl} amino) methanesulfonic acid
To prepare (1,5-dimethyl-3-oxo-2-benzyl-2,3-dihydro-1H-indole-4-yl) ({4- [ (6-methoxypyridine-3-yl) carbamoyl] benzyl} carbamoyl) acetic acid, there are various methods for its synthesis.
First, a suitable benzyl halide can be taken first, and the active compound containing 1,5-dimethyl-3-oxo-2,3-dihydro-1H-indole-4-yl can be reacted with a nucleophilic substitution reaction under the action of a base to obtain a benzyl-containing intermediate. Subsequently, the intermediate is reacted with an amine compound containing (4- [ (6-methoxypyridine-3-yl) carbamoyl] benzyl) structure in the presence of a condensing agent to obtain the target product.
Second, the core structure of 1,5-dimethyl-3-oxo-2,3-dihydro-1H-indole-4-yl can be constructed first, and then the benzyl group is introduced at its specific position through a suitable reaction. After that, the fragment containing (4- [ (6-methoxypyridine-3-yl) aminoformyl] benzyl) can be connected to the previously obtained intermediate in an appropriate reaction, such as amidation or other linking reaction, to obtain the target acetic acid compound.
Third, you can also consider starting from simple raw materials and gradually splicing each part of the structure. For example, first prepare a fragment containing 1,5-dimethyl-3-oxo-indole, and at the same time synthesize a fragment containing (4- [ (6-methoxypyridine-3-yl) aminoformyl] benzyl). After that, through multi-step reactions, including but not limited to nucleophilic substitution, addition, condensation, etc., the two are connected and finally converted into the target acetic acid product. This process requires fine control of the reaction conditions, according to the characteristics of the reaction substrate in each step, select the appropriate solvent, temperature, catalyst, etc., in order to achieve high yield and purity.
(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-yl) ({4- [ (6-methoxypyridazine-3-yl) aminosulfonyl] phenyl} amino) methanesulfonic acid What are the relevant safety information
(1,5-dimethyl-3-oxo-2-benzyl-2,3-dihydro-1H-indole-4-yl) ({4- [ (6-methoxypyridine-3-yl) sulfinylphenyl] benzyl} sulfinyl) acetic acid, the relevant safety information of this chemical substance is as follows:
Due to its complex structure, it contains a variety of specific groups, and there may be certain chemical activity and latent risk. From the known similar structural compounds, it is inferred that the benzyl-containing structural moiety may participate in chemical reactions under certain conditions, such as oxidation, substitution, etc. If the reaction is out of control, it may be potentially dangerous. The oxo group in it makes it have a certain polarity, which may affect its behavior in the environment and in organisms.
From a toxicological point of view, although there is a lack of direct toxicity data for this specific substance, compounds with similar nitrogen, oxygen-containing heterocycles and aromatic structures may have certain toxicity. For example, it may stimulate the cells of organisms, trigger inflammatory reactions, and cause damage to important organs such as the liver and kidneys after long-term exposure or ingestion.
In terms of environmental safety, its complex structure may lead to difficult degradation in the natural environment. If it enters the environment, it may accumulate in soil and water bodies, causing long-term effects on the ecosystem and interfering with the normal operation of the biological chain.
Strict protective measures must be taken when handling this substance. Experimenters should wear professional protective clothing, gloves and goggles to avoid skin contact and eye splashing. The operation should be carried out in a well-ventilated environment. It is best to be equipped with a professional fume hood to prevent inhalation of its dust or volatiles. When storing, it should be placed in a cool, dry and ventilated place, away from fire sources, heat sources and strong oxidants, etc., to ensure safety.