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What is the chemical structure of 5- (1,7-diazabicyclo [4.3.0] non-2,4,6,8-tetraene-3-yl) -6-methyl-2-oxo-1H-pyridine-3-formonitrile?
The chemical structure of #3-methylpentanoic acid describes
3-methylpentanoic acid, which is composed of three elements: carbon, hydrogen and oxygen. From the perspective of chemical structure, the main chain of pentanoic acid contains five carbon atoms and belongs to the category of saturated fatty acids. In the main chain of
pentanoic acid, the carbon atoms are connected in sequence by a single bond to form a chain-like structure. On the third carbon atom of the main chain, a methyl group (-CH 🥰) is connected, which is why the compound is named "3-methyl". The carboxyl group (-COOH) is at one end of the main chain, giving the substance its acidic properties. This carboxyl structure, in which the carbon atom is connected to two oxygen atoms, one oxygen atom is connected in the form of a double bond (C = O), and the other oxygen atom is connected to the hydrogen atom (C-O-H) through a single bond. This structure is the key to the acidic nature of organic acids.
From the perspective of spatial structure, since the carbon atoms are connected by a single bond, the single bond can be rotated around the axis, so that the molecule is not fixed in a specific shape. However, due to the interaction between the atoms and the steric resistance, its spatial conformation exists in a relatively stable state.
The chemical structure of 3-methylpentanoic acid gives it unique chemical properties. The presence of carboxyl groups allows it to neutralize with bases to form corresponding carboxylic salts and water; it can also esterify with alcohols under the action of catalysts to form esters and water. At the same time, the introduction of methyl groups changes the electron cloud distribution and steric hindrance of the molecule, which has a certain impact on its physical and chemical properties. For example, there are differences in physical properties such as solubility and boiling point compared with valeric acid.
What are the main uses of 5- (1,7-diazabicyclo [4.3.0] non-2,4,6,8-tetraene-3-yl) -6-methyl-2-oxo-1H-pyridine-3-formonitrile?
3- (1,7-dioxabicyclo [4.3.0] non-2,4,6,8-tetraene-3-yl) -6-methyl-2-oxo-1H-pyridine-3-carboxylate ethyl ester, the main uses of this compound are as follows:
In the field of organic synthesis, its unique structure makes it an important synthesis intermediate. Due to the dioxabicyclo structure contained in the molecule and the functional groups such as pyridine ring and ester group, it can react with a variety of reagents through a series of chemical reactions, such as nucleophilic substitution, electrophilic addition, oxidation and reduction, etc., to construct more complex organic molecular structures. For example, the nitrogen atom on the pyridine ring has certain basic and nucleophilic properties, and can undergo nucleophilic substitution reaction with halogenated hydrocarbons, introducing new substituents, which provides the possibility for the synthesis of compounds with specific biological activities or material properties.
In pharmaceutical chemistry research, this compound may have potential biological activities. Pyridine compounds are widely found in many drug molecules and have a variety of biological activities such as antibacterial, anti-inflammatory, and anti-tumor. The dioxabicyclic structure in this compound may enhance its ability to bind to biological targets. Through structural modification and optimization, it is possible to develop new drug molecules.
In the field of materials science, the conjugated system in its structure, such as the conjugated structure formed by dioxabicyclo and pyridine ring, may endow the compound with certain optical and electrical properties. It can be used to develop new photoelectric materials, such as organic Light Emitting Diode (OLED) materials, nonlinear optical materials, etc., showing application potential in the field of optoelectronic devices.
What is the synthesis method of 5- (1,7-diazabicyclo [4.3.0] non-2,4,6,8-tetraene-3-yl) -6-methyl-2-oxo-1H-pyridine-3-formonitrile?
To obtain 3-methyl-2-oxo-1H-indene, it can be obtained from 5- (1,7-dioxabicyclo [4.3.0] non-2,4,6,8-tetraene-3-yl) -6-methyl-2-oxo-1H-indene, which is achieved by a multi-step reaction.
The first step is to deprotect 5- (1,7-dioxabicyclo [4.3.0] non-2,4,6,8-tetraene-3-yl) -6-methyl-2-oxo-1H-indene. In this reactant, 1,7-dioxabicyclo [4.3.0] non-2,4,6,8-tetraene-3-yl is the protecting group, which is often treated with acid or base to promote the departure of the protecting group and generate an intermediate product containing active double bonds and carbonyl groups. For example, the reaction with dilute hydrochloric acid under mild heating conditions can efficiently remove the protective group, and has little effect on other functional groups.
In the second step, the intermediate product undergoes a molecular inner ring reaction. Because the intermediate product contains double bonds and carbonyl groups, under the action of a suitable catalyst, the double bonds undergo nucleophilic addition to the carbonyl group, and then the ring is closed to form a 3-methyl-2-oxo-1H-indene skeleton. If a Lewis acid catalyst, such as aluminum trichloride, is used to react in an organic solvent such as dichloromethane, it can effectively catalyze this ring reaction and improve the product yield.
Finally, the ring-off product is refined and purified. The reaction mixture was separated by conventional methods such as extraction and column chromatography to remove impurities and obtain high-purity 3-methyl-2-oxo-1H-indene. During extraction, according to the difference in solubility between products and impurities, a suitable organic solvent was selected to separate from the aqueous phase. Column chromatography selected suitable stationary and mobile phases to achieve efficient separation of products and impurities.
This synthesis route has clear steps, mild reaction conditions at each step, no harsh requirements for equipment, and the reagents used are common and easy to obtain, with good industrial application prospects.
What are the physicochemical properties of 5- (1,7-diazabicyclo [4.3.0] non-2,4,6,8-tetraene-3-yl) -6-methyl-2-oxo-1H-pyridine-3-formonitrile?
What you have said seems to be a question related to chemical substances. It involves the physical properties of 5- (1,7-dioxabicyclo [4.3.0] non- 2,4,6,8-tetraene-3-yl) -6-methyl-2-oxo-1H-pyridine-3-carboxylate.
This substance has a specific chemical structure and its physical and chemical properties are quite important. In terms of physical properties, its melting point, boiling point, etc. are related to its phase change. Usually, such organic compounds are in a solid state at room temperature and pressure, but the exact melting point and boiling point need to be determined experimentally, and they are affected by factors such as intermolecular forces and crystal structures.
Solubility is also a key physical property. According to its structure, it contains polar and non-polar parts, and it may have certain solubility in organic solvents such as dichloromethane and chloroform, etc. Because its non-polar parts can be similar to organic solvents; its solubility in water may be limited, and it is difficult to form effective interactions with water due to the non-strong polarity of the whole.
Chemically, it contains multiple unsaturated bonds and has certain reactivity. The dioxabicyclic structure and pyridine ring can participate in electrophilic substitution reactions, and unsaturated double bonds can be added, such as with halogens and hydrogen halides. The ester group can undergo hydrolysis reaction, and under acidic or basic conditions, the corresponding carboxylic acid and alcohol or carboxylate and alcohol are formed, respectively. Its methyl group can participate in some free radical reactions or nucleophilic substitution reactions. 2-oxo groups can also participate in specific redox or nucleophilic addition reactions.
In summary, the physical and chemical properties of this substance are diverse, and it may have important application potential in organic synthesis, medicinal chemistry and other fields. However, the exact properties still need to be accurately determined and verified by experiments.
What are the market prospects for 5- (1,7-diazabicyclo [4.3.0] non-2,4,6,8-tetraene-3-yl) -6-methyl-2-oxo-1H-pyridine-3-formonitrile?
"Tianwen Kaiwu":
3- (1,7-dioxabicyclo [4.3.0] non- 2,4,6,8-tetraene-3-yl) -6-methyl-2-oxo-1H-pyridine-3-formate ethyl ester, what is the future of this product in the market?
I look at it, this is one of the organic compounds, its structure is exquisite, composed of polycyclic and specific groups combined. However, at one end of the market scene, the number of ends need to be considered.
First, look at its use. If this substance can be a key intermediate for the development of new drugs in the field of medicine, it can target specific diseases and have unique pharmacological activities, and the prospect is broad. Today's pharmaceutical industry has a strong demand for innovative drugs. If it can be used to synthesize special new drugs, it may be able to win a place in the market.
Second, it depends on the difficulty of synthesis. If the synthesis steps are complicated, the raw materials are rare and expensive, resulting in high production costs. Even if it has good application prospects, it is difficult to promote on a large scale. On the contrary, if the synthesis process can be optimized and the cost can be controlled, there is a basis for expanding the market.
Third, look at the market competition situation. If similar or similar compounds have flooded the market and have been recognized and widely used, to stand out, it is necessary to demonstrate unique advantages, such as better efficacy and fewer side effects.
Fourth, policies and regulations are also important reasons. The pharmaceutical and chemical industry is strictly regulated. If it can meet the requirements of regulations and pass various safety and effectiveness assessments, it can enter the market smoothly.
Overall, the market prospects of 3- (1,7-dioxabicyclo [4.3.0] non- 2,4,6,8-tetraene-3-yl) -6-methyl-2-oxo-1H-pyridine-3-formate ethyl ester depend on various factors such as use, cost, competition and regulations. After comprehensive consideration and reasonable planning, a world may be opened up.