6 Benzothiazolecarbonitrile 2 Amino 8ci 9ci
quinoline thiophene imidazole thiazole

6-Benzothiazolecarbonitrile,2-amino-(8CI,9CI)

    Specifications

    HS Code

    719902

    Chemical Formula C8H5N3S
    Molar Mass 175.21 g/mol
    Appearance Solid (predicted from similar compounds)
    Solubility In Water Low (due to non - polar nature of benzothiazole ring)
    Solubility In Organic Solvents Moderate to high in polar organic solvents like DMSO, DMF (due to presence of polar groups)

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    Frequently Asked Questions

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    What is 6 - Benzothiazolecarbonitrile, 2 - amino - (8ci, 9ci)?
    2 + -Amino-6-benzothiazolecarbonitrile (2-amino-6-benzothiazolecarbonitrile, (8CI, 9CI)) is an organic compound. Looking at its structure, it is composed of a benzothiazole ring connected to a cyano group and an amino group. The benzothiazole ring has special aromatic and biological activity, and is common in many natural products and pharmaceutical molecules. The introduction of cyano (-CN) and amino (-NH ²) gives the compound unique chemical properties.
    In terms of reactivity, amino groups can participate in many nucleophilic reactions, such as reacting with acylating reagents to form amide bonds, or condensing with aldose and ketone compounds to form nitrogen-containing heterocycles. Cyanyl groups can be hydrolyzed to carboxyl groups, or reduced to form amine groups, etc., to expand the derivation path of the compound.
    In the field of medicine, such compounds containing benzothiazole structures often have potential biological activities, or can be used as lead compounds for the development of antibacterial, antiviral, antitumor and other drugs. In materials science, its unique structure may endow materials with special optoelectronic properties, which has potential applications in organic optoelectronic materials.
    Preparation of the compound, or by using benzothiazole as the starting material and through a specific substitution reaction, the cyano group and amino group can be introduced into the target position. However, the specific synthesis route needs to be optimized according to factors such as raw material availability, reaction conditions and yield. In conclusion, 2-amino-6-benzothiazolecarbonitrile has a research and application value in many fields such as chemistry, medicine and materials due to its unique structure.
    What are the chemical properties of 6 - Benzothiazolecarbonitrile, 2 - amino - (8ci, 9ci)?
    2 + -Amino-6-benzothiazolecarbonitrile (2-amino-6-benzothiazolecarbonitrile, 8CI, 9CI) is an important organic compound. It has unique chemical properties and plays a key role in the field of organic synthesis.
    This compound is crystalline and stable at room temperature. From the perspective of chemical structure, benzothiazole ring is connected to cyano and amino groups, giving it special reactivity. Amino groups are electron-supplying groups, which can increase the electron cloud density of compounds and make them more prone to electrophilic substitution reactions. For example, it can be replaced with halogenated hydrocarbons under appropriate conditions to form nitrogen-containing derivatives. This is an important step in the construction of complex organic molecules. < Br >
    The existence of the cyanyl group is also of great significance, as it can undergo a variety of conversion reactions. Under certain conditions, the cyanyl group can be hydrolyzed to form a carboxyl group, which converts the compound into an acidic substance and can be used to synthesize a variety of carboxyl-containing pharmaceutical intermediates. In addition, the cyanyl group can also participate in the cyclization reaction to build more complex cyclic structures, enriching the structural diversity of the compound. The solubility of 2 + -amino-6-benzothiazolecarbonitrile is also worthy of attention. It has a certain solubility in common organic solvents such as dichloromethane, N, N-dimethylformamide. This property provides convenience for its participation in organic reactions. Researchers can choose suitable solvents according to reaction requirements to optimize reaction conditions, improve reaction efficiency and product purity. In short, the compound has broad application prospects in organic synthesis, pharmaceutical chemistry and other fields due to its unique structure and diverse reactivity.
    What are the main uses of 6 - Benzothiazolecarbonitrile, 2 - amino - (8ci, 9ci)?
    2 + -Amino-6-benzothiazolecarbonitrile (8CI, 9CI) is an important organic compound that has a wide range of uses in many fields.
    plays a key role in the field of medicinal chemistry. Due to its unique chemical structure, it can act as a key intermediate for the synthesis of drug molecules with specific biological activities. Many drug research and development efforts have been made to use the structural properties of such compounds to construct drugs that exhibit high affinity and selectivity for specific disease targets. For example, for some tumor cell targets, structural modification and derivatization of 2 + -amino-6-benzothiazolecarbonitrile are expected to develop new anti-cancer drugs or to synthesize drugs with potential therapeutic effects for neurological disease targets.
    This compound also has potential applications in materials science. It can participate in the preparation of functional materials, such as as as a basic unit for the construction of new optoelectronic materials. Due to its special electronic structure, rational design and assembly may endow materials with unique optical and electrical properties, such as in organic Light Emitting Diodes (OLEDs), solar cells and other optoelectronic devices, to improve the performance and efficiency of the device.
    In addition, in the field of organic synthetic chemistry, 2 + -amino-6 -benzothiazolecarbonitrile is often used as an important synthetic building block. With its active functional groups, complex and diverse organic compounds can be constructed through various organic reactions, such as nucleophilic substitution, cyclization, etc., providing an important starting material for organic synthesis chemists to explore novel organic molecular structures and reaction pathways. In short, 2 + -amino-6 -benzothiazolecarbonitrile has shown important application prospects in many disciplines due to its unique structure, promoting research and development in related fields.
    What are the synthesis methods of 6 - Benzothiazolecarbonitrile, 2 - amino - (8ci, 9ci)?
    To prepare 2-amino-6-benzothiazolecarbonitrile (2-amino-6-benzothiazolecarbonitrile, 8CI, 9CI), the method is as follows:
    The starting materials are mainly sulfur-containing phenols and cyanoacetamide. First take an appropriate amount of sulfur-containing phenols, mix them with alkali solution such as sodium hydroxide, and stir at a moderate temperature to convert phenolic hydroxyl groups into phenoxy negative ions. This step is to prepare for the subsequent nucleophilic substitution reaction, which greatly increases the activity of phenoxy negative ions and makes it easier to participate in the reaction.
    Then, add halogenated benzonitrile. The halogen atoms of the added halogenated benzonitrile are preferably chlorine and bromine. Because of its suitable halogen atom activity, it can smoothly undergo nucleophilic substitution reaction with phenoxy anions. This reaction process requires strict control of the reaction temperature and time, usually the temperature is maintained at 50-80 ° C, and the reaction lasts for several hours to generate key intermediates.
    Then, the resulting intermediate is placed in an high-pressure reactor with an ammonia source, such as liquid ammonia or concentrated ammonia water, and reacted under certain pressure and temperature conditions. This step aims to achieve amination and promote the conversion of the intermediate into the target product 2-amino-6-benzothiazolecarbonitrile. The pressure is generally controlled at several megapascals, the temperature is 100-150 ° C, and the reaction continues for several hours.
    After the reaction is completed, the pure 2-amino-6-benzothiazolecarbonitrile product can be obtained by conventional separation and purification methods, such as extraction, recrystallization, column chromatography, etc. During extraction, a suitable organic solvent is selected to fully dissolve the product into the organic phase and separate it from impurities; recrystallization is based on the solubility characteristics of the product, and a suitable solvent is selected to obtain high-purity crystals; column chromatography selects silica gel and eluent according to the polarity difference between the product and the impurity to achieve separation and purification.
    What do you need to pay attention to when storing and transporting 6 - Benzothiazolecarbonitrile, 2 - amino - (8CI, 9CI)?
    2 + -Amino-6 -benzothiazolecarbonitrile (8CI, 9CI) requires a lot of attention during storage and transportation.
    Let's talk about storage first. This is an extremely critical link, because it is related to the stability and safety of the substance. First, choose a dry, cool and well-ventilated place. Humid environment or cause chemical reactions, which affect the quality and even cause danger. Second, the temperature also needs to be strictly controlled. Excessive temperature may accelerate the decomposition or volatilization of the substance, and too low temperature may cause it to crystallize and solidify, which will affect subsequent use. Third, be sure to store it separately from oxidants, acids, bases, etc. Because of its lively chemical properties, contact with these substances, or cause violent chemical reactions, such as combustion, explosion, etc. Fourth, the storage place should be set up with obvious warning signs to remind personnel to pay attention to safety. At the same time, it is necessary to regularly check the stored substances to see if the packaging is in good condition and whether there is any deterioration.
    As for transportation, it is also not sloppy. Transportation vehicles must have corresponding qualifications and be equipped with necessary safety equipment. During transportation, it is necessary to ensure the smooth running of the vehicle, avoid violent vibration and collision, and prevent packaging damage. If the packaging is damaged and the material leaks, it will not only cause waste, but also may pollute the environment and endanger the safety of personnel. Furthermore, transportation personnel should be professionally trained and familiar with the characteristics of the substance and emergency treatment methods. In the event of an accident, effective measures can be taken quickly to reduce losses. In addition, relevant regulations and standards must be followed during transportation, and necessary transportation procedures must be handled to ensure legal compliance of transportation.