4ar 7s 8as 9 9 Dimethyltetrahydro 4a 7 Methanooxazireno 3 2 I 2 1 Benzisothiazole 3 3 Dioxide
Quinoline Thiophene Imidazole Thiazole
(4aR,7S,8aS)-9,9-dimethyltetrahydro-4a,7-methanooxazireno[3,2-i][2,1]benzisothiazole 3,3-dioxide
Chemical Name (4aR,7S,8aS)-9,9-dimethyltetrahydro-4a,7-methanooxazireno[3,2-i][2,1]benzisothiazole 3,3-dioxide
Molecular Formula C12H15NO3S
Molecular Weight 253.32 g/mol
Physical State Solid (predicted)
Solubility Limited solubility in water (predicted)
Logp Estimated logP value (lipophilicity parameter)
Stereochemistry 4aR,7S,8aS configuration
Functional Groups Oxazirene, Benzisothiazole dioxide, Methyl groups
FAQ

What is the chemical structure of (4aR, 7S, 8aS) -9,9 -dimethyltetrahydro-4a, 7 -methylenoxynazo [3,2-i] [2,1] benzoisothiazole 3,3 -dioxide?

(4aR, 7S, 8aS) - 9,9-dimethyl-4a, 7-methylene-dihydro-oxacyclopento [3,2-i] [2,1] The chemical structure of benzisofuran-3,3-dioxide is a delicate and complex structure.

Its core is a ring-like structure, which is like an ancient and mysterious ring chain, containing a unique spatial arrangement. (4aR, 7S, 8aS) This mark is like a mysterious rune, indicating the three-dimensional configuration of specific atoms in molecules, which is cleverly positioned in space and determines the unique properties of molecules.

9,9-dimethyl, such as the special decoration of inlay on the ring chain, adds methyl groups at predetermined positions in the molecule, which affects its chemical activity and physical properties. 4a, 7-methylene dihydro-oxacyclopenta [3,2-i] [2,1] benzisofuran, which is the main ring system, is cleverly joined by multiple ring structures, like the tenon and mortise of ancient buildings, to form a stable and unique structure. And 3,3-dioxide, like imparting unique magic power to the molecule, adds two oxygen atoms at a specific position, which greatly changes the reactivity and functional characteristics of the molecule.

This chemical structure integrates spatial configuration, group modification and ring system, just like the delicate spells hidden in ancient secrets, revealing the unique charm and mystery of the chemical world.

What are the main physical properties of (4aR, 7S, 8aS) -9,9-dimethyltetrahydro-4a, 7-methyleneoxyazo [3,2-i] [2,1] benzoisothiazole 3,3-dioxide?

(4aR, 7S, 8aS) -9,9-dimethyltetrahydro-4a, 7-methylenoxy [3,2-i] [2,1] benzisoxazole 3,3-dioxide, which has a variety of key physical properties. Its appearance is often white to light yellow crystalline powder, which forms a regular crystal structure due to the specific atomic arrangement and chemical bonding in its molecular structure.

The melting point of this substance is in a specific range, about [X] ° C to [X] ° C. This property is due to the interaction of intermolecular forces, such as van der Waals force and hydrogen bonds, so that when the temperature reaches a certain level, the molecule obtains enough energy to overcome the lattice binding and cause the solid state to turn into a liquid state.

It has different solubility in different organic solvents. It has a certain solubility in polar organic solvents such as methanol and ethanol because the molecular part is polar and forms an interaction force with polar solvent molecules, such as hydrogen bonds or dipole-dipole interactions; in non-polar solvents such as n-hexane, the solubility is low, because the molecular polarity does not match the non-polar solvent.

In addition, its stability is also an important physical property. It is relatively stable under conventional environmental conditions. When exposed to high temperatures, strong oxidants or specific catalysts, the molecular structure may change, triggering chemical reactions. This is related to the structure of oxygen heterocycles and benzisoxazole contained in the molecule. These structures are reactive under specific conditions.

(4aR, 7S, 8aS) -9,9-dimethyltetrahydro-4a, 7-methylenoxynazo [3,2-i] [2,1] benzoisothiazole 3,3-dioxide In what fields are applications?

(4aR, 7S, 8aS) - 9,9-dimethyl-4a, 7-methylenedioxy [3,2-i] [2,1] benzisoxazole-3,3-dioxide, this substance is used in medicine, pesticides, materials science and other fields.

In the field of medicine, due to its special chemical structure, it exhibits unique biological activity, or can be used to create new drugs. For example, for specific disease-related targets, it can precisely bind and regulate physiological processes, providing the possibility for the development of specific drugs, such as in the development of anti-tumor drugs, or by modifying its structure, it can enhance the inhibitory effect on tumor cells. < Br >
In the field of pesticides, with its chemical properties, high-efficiency and low-toxicity pesticides can be developed. With its special mechanism of action against pests and pathogens, it can precisely combat pests and bacteria, reduce environmental impact, and contribute to sustainable agricultural development.

In the field of materials science, this substance may be used to prepare functional materials. Because of its unique electronic structure and physical properties, it may improve the electrical and optical properties of materials, such as for the preparation of new optoelectronic materials, promoting the development of display technology and optoelectronic devices.

What is the preparation method of (4aR, 7S, 8aS) -9,9 -dimethyltetrahydro-4a, 7 -methylenoxynazo [3,2-i] [2,1] benzoisothiazole 3,3 -dioxide?

To prepare\ ((4aR, 7S, 8aS) -9,9-dimethyltetrahydro-4a, 7-methyleneoxy [3,2-i] [2,1] benzisoxazole 3,3-dioxide\), the following ancient method can be used.

First take an appropriate amount of raw material containing the corresponding carbon skeleton. This raw material must have a functional group that can be converted into the target structure by reaction. With a delicate reaction, the chemical bond at a specific location in the raw material is broken and reconnected.

Suitable reagents can be used first to promote an addition reaction at a specific part of the raw material to introduce the groups required to construct the methyleneoxy-butyl structure. In this process, it is necessary to precisely control the reaction conditions, such as temperature, pH, reaction time, etc. If the temperature is too high, side reactions may occur frequently; if the temperature is too low, the reaction rate will be slow and take a long time.

Then, the addition product is cyclized to promote the rearrangement of atoms in the molecule to construct a complex ring structure of the target. In this step, a suitable catalyst needs to be selected to improve the reaction efficiency and selectivity.

After the ring system is initially formed, an oxidation reaction is carried out to convert the group at a specific position into a dioxide structure. In this oxidation step, the type and amount of oxidant used are crucial, and careful consideration should be given.

The entire preparation process is like a delicate show of skills, each step requires craftsman-like fine operation and judgment, in order to obtain a pure and sufficient amount of\ ((4aR, 7S, 8aS) -9,9 -dimethyltetrahydro- 4a, 7 -methyleneoxyheterocyclobutyl [3,2-i] [2,1] benzisoxazole 3,3 -dioxide\).

What is the stability of (4aR, 7S, 8aS) -9,9-dimethyltetrahydro-4a, 7-methylenoxynazo [3,2-i] [2,1] benzoisothiazole 3,3-dioxide?

The stability of (4aR, 7S, 8aS) -9,9-dimethyl-4a, 7-methylene oxynitrogen heterocyclic butano [3,2-i] [2,1] benzoisoquinoline-3,3-dioxide is related to its structure, environment and many other factors.

Looking at its structure, the ring system of this compound is intertwined, such as the structure of cyclobutane and benzoisoquinoline, and chemical bonds are tied to each other. The methylene oxynitrogen heterocyclic part, the nitrogen and oxygen atoms with their lone pairs of electrons, bond or interact with the surrounding atoms, just like the tenon and tenon of a stable pavilion, so that the overall structure is closely connected. The substitution of dimethyl adds a steric resistance at a specific position, which affects the intermolecular interaction or increases the stability.

Environmental factors should not be underestimated. When the temperature rises, the thermal motion of molecules intensifies, such as boiling water in a kettle, and the molecules collide frequently. If the energy is enough to overcome the chemical bond energy, the structure may change, and the stability will decrease. If the acid-base environment changes, this compound contains groups such as nitrogen and oxygen that can be protonated or reacted, or cause reactions such as proton transfer and hydrolysis, and the stability will be damaged.

To know its stability for sure, experiments are needed to prove it. Data such as decomposition rate, melting point, and thermogravimetry under different conditions can be measured, and accurate judgments can be made by scientific methods. Only in this way can the stability of (4aR, 7S, 8aS) -9,9-dimethyl-4a, 7-methylene oxynitrano [3,2-i] [2,1] benzisoquinoline-3,3-dioxide be clarified.