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What is the chemical structure of N- (1,3-benzodioxane-5-ylmethyl) -4-fluorobenzenesulfonamide?
The chemical structure of N- (1,3-naphthaleno-heterocyclopentene dioxide-5-methylphenyl) -4-bromonaphthaleno-phthalimide, let me explain in detail in this detailed text.
This compound has a unique structure and contains several key structural fragments. First, the 1,3-naphthaleno-heterocyclopentene dioxide part, the naphthalene ring is a fused dicyclic aromatic hydrocarbon structure with a conjugated system, which endows the molecule with certain stability and special electronic properties. At the 1,3 position of this naphthalene ring, the heterocyclopentene dioxide structure is connected. This heterocyclic ring contains oxygen atoms, and the presence of heteroatoms affects the polarity and reactivity of the molecule.
Furthermore, 5-methylphenyl is attached to the 5th position of naphthalene and heterocyclopentene dioxide. Methyl is a common alkyl group, which has a donor electron effect and can change the electron cloud density of the aromatic ring, which in turn affects the electron distribution and chemical activity of the whole molecule. The conjugation system of phenyl interacts with the naphthalene ring to enhance the degree of conjugation of the molecule, which has a significant impact on its optical and electrical properties.
As for the part of 4-bromonaphthalene phthalimide, the naphthalene ring is connected to phthalimide. Phthalimide is a nitrogen-containing ring structure, and the lone pair electrons of the nitrogen atom participate in the conjugation, which affects the electron cloud distribution of the molecule. The bromine atom at the 4th position, due to its large electronegativity, is an electron-withdrawing group, which can adjust the polarity and reactivity of the molecule, and in organic synthesis, the bromine atom is often an important reaction check point, which can carry out a variety of substitution reactions, etc., providing the possibility for the derivatization of the compound.
The overall structure of this compound, the interaction of various parts, endows it with unique physical and chemical properties and potential application value, and may have important uses in organic synthesis, materials science and other fields.
What are the main uses of N- (1,3-benzodioxane-5-ylmethyl) -4-fluorobenzenesulfonamide?
N- (1,3-benzodioxacyclopentene-5-ylmethyl) -4-bromobenzenesulfonamide has a wide range of uses. In the field of pharmaceutical research and development, it is often used as a key intermediate. Due to the unique structure of this compound, it can be combined with other active groups by organic synthesis, and then novel drugs with specific pharmacological activities can be created. For example, in the study of anti-tumor drugs, derivatives based on this have been found to inhibit proliferation in specific tumor cell lines, which may provide a new path for the development of anti-tumor drugs.
In the field of materials science, N- (1,3-benzodioxacyclopentene-5-ylmethyl) -4-bromobenzenesulfonamide also has its uses. Because its structure contains groups such as benzene ring and sulfonamide group, it imparts specific electrical and optical properties to the material. For example, introducing it into polymer materials can improve the conductivity and photostability of materials, providing the possibility of preparing new photovoltaic materials, such as organic Light Emitting Diode (OLED), solar cells and other devices to improve their performance. In addition, in the field of organic synthetic chemistry, as an organic reagent with a unique structure, it can participate in many organic reactions, such as nucleophilic substitution reactions, coupling reactions, etc., providing a foundation for the construction of more complex and diverse organic molecular structures, enabling organic chemists to expand their compound libraries, explore new organic synthesis strategies and methods, and promote the development of organic synthetic chemistry.
What are the physical properties of N- (1,3-benzodioxane-5-ylmethyl) -4-fluorobenzenesulfonamide?
N- (1,3-benzodioxacyclopentene-5-ylmethyl) -4-bromobenzamide is an organic compound. This compound has specific physical properties, which are detailed as follows:
Above the appearance properties, it may be solid under normal conditions, and it is mostly white to off-white crystalline powder. This form is convenient for storage and subsequent processing. In various chemical reactions and preparation processes, the powder form is conducive to dispersion and mixing, which can promote the reaction to be more uniform and efficient.
In terms of melting point, its melting point is in a specific temperature range, but the exact value varies slightly due to differences in sample purity and test conditions. As a key physical property index, melting point is of great significance for the identification of compound purity. If the purity of the compound is high, the melting point range is usually narrow; conversely, the presence of impurities will cause the melting point to decrease and the melting range to widen.
Solubility is also an important property. N- (1,3-benzodioxane-5-ylmethyl) -4-bromobenzamide exhibits different solubility properties in common organic solvents. Generally speaking, it has good solubility in halogenated hydrocarbon solvents such as dichloromethane and chloroform, and also has certain solubility in polar aprotic solvents such as acetonitrile and N, N-dimethylformamide (DMF). However, the solubility in water is relatively low. This solubility characteristic provides an important basis for the selection of reaction media in organic synthesis and subsequent separation and purification steps. For example, in the reaction stage, a suitable solvent can be selected according to the solubility of the reactant and the product to ensure the smooth progress of the reaction; when separating and purifying, its solubility difference can be used to obtain high-purity products by extraction, recrystallization and other means.
In terms of stability, the compound is relatively stable under conventional storage conditions. However, it is necessary to avoid contact with strong oxidants, strong acids, strong bases and other substances, because some groups in the chemical structure may react with it, resulting in structural changes of the compound. At the same time, environmental factors such as light, high temperature, and high humidity may also affect its stability, so it should be stored in a cool, dry and dark place.
What is the preparation method of N- (1,3-benzodioxane-5-ylmethyl) -4-fluorobenzenesulfonamide?
To prepare N- (1,3-benzodioxane-5-methyl) -4-bromobenzamide, the method is as follows:
First take 1,3-benzodioxane-5-formaldehyde, with a suitable reducing agent, such as sodium borohydride, in a suitable solvent, such as methanol, under low temperature and stirring conditions, reduce the aldehyde group to an alcoholic hydroxyl group to obtain 1,3-benzodioxane-5-methanol.
Then this product is reacted with a suitable halogenating agent, such as phosphorus tribromide or hydrobromic acid, at a suitable temperature and reaction time, so that the alcoholic hydroxyl group is replaced by a bromine atom to obtain 1- (bromomethyl) -1,3-benzodioxane.
Another 4-bromobenzoic acid is taken and reacted with dichlorosulfoxide under heated reflux to convert the carboxyl group into an acyl chloride to obtain 4-bromobenzoyl chloride.
Subsequently, 1- (bromomethyl) -1,3-benzodioxane and 4-bromobenzoyl chloride are reacted with 4-bromobenzoyl chloride in a suitable organic solvent such as acetonitrile in the presence of a base, such as potassium carbonate, at a certain temperature and for a long time, so that the two substitution reactions occur to obtain N- (1,3-benzodioxane-5-methyl) -4-bromobenzoamide. After the reaction is completed, the product is purified by conventional separation and purification methods, such as column chromatography, etc., to obtain a relatively pure target product.
What are the precautions for using N- (1,3-benzodioxane-5-ylmethyl) -4-fluorobenzenesulfonamide?
N- (1,3-benzodioxacyclopentene-5-methyl) -4-chlorobenzamide during use, be sure to pay attention to the following things:
First, safety protection is essential. This compound may be toxic and irritating, and when exposed, strict safety procedures should be followed. Those involved must wear appropriate protective equipment, such as gloves, goggles and protective clothing, to prevent skin, eyes and respiratory tract damage. In case of accidental contact, rinse with plenty of water immediately and seek medical consultation according to the actual situation.
Second, precisely control the dosage. According to the specific application and reaction requirements, accurately weigh and strictly control the dosage of N- (1,3-benzodioxacyclopentene-5-methyl) -4-chlorobenzamide. Improper dosage may cause poor reaction effect, or cause side reactions, or even endanger experimental safety or product quality.
Third, properly store the compound. Store it in a cool, dry and well-ventilated place, away from fire sources and oxidants. Some chemicals are not stable in specific environments, improper storage or cause them to deteriorate and decompose, which will affect the use efficiency and pose a safety hazard in serious cases.
Fourth, the operating environment cannot be ignored. The use process should ensure smooth ventilation of the operating environment to avoid the accumulation of volatile gases from compounds. When necessary, use fume hoods and other equipment to ensure the air quality of the operating space and reduce the potential threat to the health of the operator.
Fifth, follow the established operating procedures. Whether it is used for synthetic reactions or other purposes, it should be acted according to the established experimental procedures and operating procedures. Before operation, you need to be familiar with the relevant reaction mechanism and points to pay attention to, and do not change the operation steps without authorization to prevent accidents.