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What is the chemical structure of 4H-pyrano [3,2-c] quinoline-2-carboxylic acid, 5,6-dihydro-7,8-dimethyl-4,5-dioxo-, 3-methylbutyl ester
This chemical substance is called 4H-pyrano [3,2-c] pyrazole-2-carboxylic acid, 5,6-dihydro-7,8-dimethyl-4,5-dioxo-3-methylbenzopyran. This is an organic compound with a complex structure and rich in many functional groups.
Its core structure is the ring system of pyrano-pyrazole. The pyran ring is a six-membered oxygen-containing heterocycle, and the pyrazole ring is a five-membered heterocycle containing two nitrogen atoms. The combination of the two forms a unique spatial structure. The 2-position is connected with a carboxyl group (-COOH), which imparts a certain acidity to the compound. It often plays the role of an active check point in chemical reactions, and can participate in esterification, salt formation and other reactions. The hydrogen atom at the
5,6-position is in a dihydrogen state, indicating that this two-position undergoes a hydrogenation process, resulting in a different chemical activity and electron cloud distribution from the unhydrogenated situation. The 7,8-position is connected with a methyl group (-CH 🥰), respectively. The introduction of methyl groups can change the steric hindrance and electronic effect of the molecule, and affect the physical and chemical properties of the compound. The 4,5-position is the dioxo generation, that is, this two-position forms a specific chemical bond with the oxygen atom, or is a double-bonded carbonyl group (C = O), which significantly affects the polarity and reactivity of the molecule. The
3-position is connected with a fragment of methylbenzopyran, and the parallel ring structure of benzopyran adds the stability and conjugation system of the molecule, so that the compound may have special properties in the fields of light and electricity. In methylbenzopyran, the aromatic nature of the benzene ring endows the molecule with certain stability and electron delocalization characteristics, while the interaction between the pyran ring and the pyranopyrazole ring makes the electron cloud distribution of the whole molecule more complex, resulting in its unique chemical and physical properties. The structural properties of this compound make it potentially useful in organic synthesis, medicinal chemistry and other fields.
What are the physical properties of 4H-pyrano [3,2-c] quinoline-2-carboxylic acid, 5,6-dihydro-7,8-dimethyl-4,5-dioxo-, 3-methylbutyl ester
4H-pyrrolio [3,2-c] quinoline-2-carboxylic acid, 5,6-dihydro-7,8-dimethyl-4,5-dioxide, 3-methylquinoline This compound has many physical properties. Its appearance is often in a specific form, mostly crystalline solids, which is attributed to the intermolecular forces that promote its orderly arrangement. The color may be white to light yellow, and the color is derived from the absorption and reflection characteristics of the molecular structure.
In terms of melting point, due to the interaction of hydrogen bonds and van der Waals forces between molecules, specific energy is required to overcome these forces to achieve phase transition, so the melting point is relatively high. The compound is insoluble in water because of its large difference in molecular polarity from water, making it difficult to form effective interactions between water molecules and compound molecules. However, it has better solubility in organic solvents such as ethanol and chloroform. Because organic solvents and compound molecules can form similar interactions, it conforms to the principle of "similar miscibility".
Its stability has also attracted attention. At room temperature and pressure, the structure is relatively stable, because the bond energy distribution in the molecular structure is reasonable, and the covalent bond is stable. However, in the case of strong acids, strong bases or high temperature environments, some chemical bonds in the molecular structure will be affected, causing reactions to cause structural changes.
In addition, the compound may have certain optical properties, such as intramolecular electron transitions under specific wavelengths of light, exhibiting fluorescence properties, which is due to its conjugated structure conducive to electron excitation and transition.
In practical applications and research, these physical properties are of great significance for the separation, purification, identification and related chemical reaction design of compounds. Knowing its solubility can select suitable solvents for reaction or separation; understanding stability can help determine storage conditions and use environments; optical properties provide direction for analysis and detection and specific optical material applications.
What is the synthesis method of 4H-pyrano [3,2-c] quinoline-2-carboxylic acid, 5,6-dihydro-7,8-dimethyl-4,5-dioxo-, 3-methylbutyl ester
To prepare 4H-quinazolo [3,2-c] misoline-2-carboxylic acid, 5,6-dihydro-7,8-dimethyl-4,5-dioxide-, 3-methylpyrazole, the method is as follows:
First take an appropriate starting material, which must contain the necessary groups to construct the core structure of the target molecule. Take a compound with a structure similar to the parent nucleus of quinazolo-misoline as the base, or the parent nucleus can be gradually built through a multi-step reaction.
In the initial stage of the reaction, a nucleophilic substitution reaction can be used to introduce suitable substituents. For example, a nucleophilic reagent containing methyl is selected, and under appropriate reaction conditions, such as suitable solvents, bases, and temperature environments, nucleophilic substitution occurs with a suitable check point in the starting material to introduce the methyl group of the 3-methylpyrazole moiety.
For the construction of the 5,6-dihydro-7,8-dimethyl structure, it can be achieved through selective reduction and methylation in subsequent steps. For example, the specific double bond is first reduced to obtain the dihydrogen structure, and then the introduction of 7,8-dimethyl is completed under basic catalysis with methylating reagents, such as iodomethane.
As for the formation of 4,5-dioxide, a suitable oxidizing agent, such as peroxide, can be used to oxidize a specific position in a suitable reaction system, so that the corresponding check point forms a dioxide structure.
The introduction of 2-carboxylic acid can be achieved by a specific carboxylation reaction after the construction of the parent nucleus is completed. For example, using the strategy of reacting Grignard reagent with carbon dioxide, the intermediate containing magnesium is prepared first, and then interacted with carbon dioxide, and the 2-carboxylic acid is obtained after acidification.
Each step of the reaction requires fine control of the reaction conditions and monitoring of the reaction process to ensure the purity and yield of the product. In this way, 4H-quinazolo [3,2-c] misoline-2-carboxylic acid, 5,6-dihydro-7,8-dimethyl-4,5-dioxide-, 3-methylpyrazole can be successfully prepared through a multi-step ingenious design of the reaction.
4H-pyrano [3,2-c] quinoline-2-carboxylic acid, 5,6-dihydro-7,8-dimethyl-4,5-dioxo-, 3-methylbutyl ester is used in which fields
4H-pyrrolido [3,2-c] pyridine-2-carboxylic acid, 5,6-dihydro-7,8-dimethyl-4,5-dioxide, 3-methylquinoline This compound has its own unique applications in the fields of medicine, materials science, organic synthesis, etc., as detailed below:
###Pharmaceutical field
Because of its structural characteristics, it is of great significance for drug development. Many studies have focused on its effects on specific disease-related targets. For example, in the exploration of anti-cancer drugs, this compound can be modified and optimized to precisely act on key signaling pathway proteins of cancer cells and inhibit the proliferation and metastasis of cancer cells. In the development of drugs for neurological diseases, it can provide new directions for the treatment of neurodegenerative diseases such as Parkinson's disease and Alzheimer's disease by leveraging its structure and biological activity to regulate neurotransmitter transmission or protect nerve cells. Some studies have pointed out that this compound may have antibacterial and antiviral activities, which can target specific bacteria and viruses, disrupt their key metabolic processes or block infection mechanisms, laying the foundation for the development of new antibacterial and antiviral drugs.
###Materials Science Field
In the construction of organic optoelectronic materials, the unique structure of 4H-pyrrolido [3,2-c] pyridine-2-carboxylic acid, 5,6-dihydro-7,8-dimethyl-4,5-dioxide, and 3-methylquinoline endows the material with special optoelectronic properties. It can be introduced into the organic Light Emitting Diode (OLED) material system to enhance the fluorescence efficiency and stability of the material, and improve the luminous performance and service life of OLED devices. In the research of solar cell materials, the compound can be used as an electron transport or photosensitization unit to optimize the internal charge transfer and light absorption conversion efficiency of the battery, and help the development of high-efficiency solar cells. In addition, in terms of sensor materials, the optical or electrical properties caused by their interaction with specific substances can be used to achieve highly sensitive detection of targets.
##Field of Organic Synthesis
As an important intermediate in organic synthesis, 4H-pyrrolido [3,2-c] pyridine-2-carboxylic acid, 5,6-dihydro-7,8-dimethyl-4,5-dioxide, 3-methylquinoline can be derived from complex organic compounds with diverse structures through various chemical reactions. Through the reaction with different nucleophiles and electrophiles, the introduction and transformation of specific functional groups are realized, providing an effective way for the synthesis of organic molecules with specific biological activities or material properties. In the construction of complex natural products or drug molecular skeletons, this compound can be used as a key structural module to quickly and efficiently achieve the total synthesis of target molecules through ingenious synthesis route design, promoting the development and innovation of organic synthetic chemistry.
What is the safety of 4H-pyrano [3,2-c] quinoline-2-carboxylic acid, 5,6-dihydro-7,8-dimethyl-4,5-dioxo-, 3-methylbutyl ester
Fu4H-pyrrolido [3,2-c] pyridine-2-carboxylic acid, 5,6-dihydro-7,8-dimethyl-4,5-dioxy-3-methylindole, its safety considerations are quite complex.
Looking at its chemical structure, polyfunctional groups coexist. The structure of 4,5-dioxide may give the molecule a specific redox activity. In the environment, this structure may involve oxidation reactions and interact with surrounding substances, but the rate of such reactions and products vary depending on environmental conditions. In case of reducing substances or structural changes, the toxicity and biological activity of the new substances are unknown.
5,6-dihydro and 7,8-dimethyl moiety, which affect the lipophilicity of molecules. High lipophilicity or cause it to accumulate easily in the lipid environment of organisms, such as biofilms. Long-term accumulation, or interfere with the normal function of biofilms, affects key physiological processes such as cell material transportation and signal transduction.
3-methylindole fragment, with unique odor and certain biological activity. In organisms, or interact with specific receptors, triggering a series of physiological responses. In the microbial environment, or affect the metabolism and growth of microorganisms, changing the ecological balance.
And 2-carboxylic acid functional group, acidic, in different pH environments, the dissociation state is different. This not only affects molecular solubility, but also interferes with ion balance, enzyme activity and physiological regulation mechanism in vivo, or complexes with metal ions.
In summary, the safety of 4H-pyrrolido [3,2-c] pyridine-2-carboxylic acid, 5,6-dihydro-7,8-dimethyl-4,5-dioxide-3-methylindole, controlled by its complex structure, in different environments and biological systems, or diverse latent risk, needs to be further investigated to clarify its details.