3 Methylbenzo B Thiophene 2 Carboxylic Acid
quinoline thiophene imidazole thiazole

3-Methylbenzo[b]thiophene-2-carboxylic acid

Taiy Chemical

    Specifications

    HS Code

    632037

    Chemical Formula C10H8O2S
    Molar Mass 192.234 g/mol
    Appearance Solid (predicted)
    Boiling Point 371.4±11.0 °C at 760 mmHg (predicted)
    Melting Point 175 - 179 °C
    Density 1.344±0.06 g/cm3 at 20 °C (predicted)
    Flash Point 178.4±19.3 °C (predicted)
    Solubility In Water Insoluble (predicted)
    Logp 2.94 (predicted)
    Pka 3.93±0.10 (predicted)

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    Frequently Asked Questions

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    What are the physical properties of 3-methylbenzo [b] thiophene-2-carboxylic acid?
    3-Methylindolo [b] quinoline-2-carboxylic acid is an organic compound. Its physical properties are quite unique and are described as follows:
    This substance is mostly solid at room temperature and pressure. From the appearance, it is usually in the form of powder or crystal, with white or slightly yellowish color and fine texture, like a fine powder carefully ground, and like a collection of tiny crystals.
    In terms of melting point, it usually changes from solid state to liquid state within a specific temperature range, and this melting point is crucial for identifying and purifying the compound. After many experiments, its melting point is within a certain range, which is the key physical parameter for identifying the substance.
    Solubility is also an important physical property. In common organic solvents, such as ethanol, dichloromethane, etc., 3-methylindolo [b] quinoline-2-carboxylic acid exhibits certain solubility characteristics. In ethanol, with the increase of temperature, the dissolution rate is accelerated and the solubility is also improved; in dichloromethane, it can be better dissolved to form a uniform solution. This property is convenient for processing it during organic synthesis and analysis, such as being soluble in a suitable solvent as a reaction raw material to promote the reaction, or in the separation and purification step to achieve the purpose of purification by taking advantage of its solubility difference.
    Its density is a specific value compared to water, which determines its phase distribution when mixed with other liquids such as water. In some heterogeneous reactions or extraction operations, this density characteristic can be used to design a reasonable experimental procedure, so that the compound can be effectively separated or participate in a specific reaction.
    In addition, the compound also has a specific refractive index. When light passes through its pure sample, the direction of light will change according to a specific law. This refractive index is valuable in accurately analyzing and identifying the purity and concentration of the compound. It is often used as an important physical indicator for quality control and analysis and detection.
    What are the chemical properties of 3-methylbenzo [b] thiophene-2-carboxylic acids?
    3-Methylindolo [b] quinoline-2-carboxylic acid is an organic compound with the following chemical properties:
    1. ** Acidic **: This compound contains a carboxyl group (-COOH), so it is acidic. The hydrogen atom of the carboxyl group can be partially ionized, releasing hydrogen ions (H 🥰) in aqueous solution, thus exhibiting acidic properties. It can react with bases to form corresponding carboxylic salts and water. For example, when reacting with sodium hydroxide (NaOH), the hydrogen in the carboxyl group combines with the hydroxide (OH) of sodium hydroxide to form water to form 3-methylindolo [b] quinoline-2-carboxylate sodium salt. This acidity allows the compound to participate in acid-base neutralization and ion exchange reactions under specific conditions.
    2. ** Aromaticity **: There are indole rings and quinoline rings in the molecular structure, both of which are aromatic. The aromatic system has special stability due to the delocalization of π electrons. This aromaticity imparts certain chemical stability to the compound, making it relatively less prone to addition reactions and easier to carry out electrophilic substitution reactions. For example, electrophilic substitution can occur with electrophilic reagents such as halogens, nitro positive ions, etc. The electrophilic reagents attack the positions with higher electron cloud density on the indole ring or the quinoline ring to form substituted products.
    3. ** Conjugation effect **: The indole ring is conjugated with the quinoline ring, and the conjugation system can make the electron cloud distribution more uniform and enhance the molecular stability. The conjugation effect also affects the electronic properties of the compound, and has an effect on its spectral properties and reactivity. For example, the conjugation system will cause the absorption spectrum of the compound to red shift, showing a specific absorption peak in the ultraviolet-visible spectrum, which can be used for qualitative and quantitative analysis of the compound. In terms of reactivity, the conjugation effect can change the electron cloud density at some positions of the molecule, affecting the attack check point and reaction difficulty of electrophilic or nucleophilic reagents.
    4. ** Solubility **: Due to the presence of polar carboxyl groups, the compound has a certain solubility in polar solvents (such as water, alcohols, etc.); at the same time, the larger aromatic ring structure in the molecule also makes it soluble in non-polar organic solvents (such as benzene, toluene, etc.). However, the specific solubility will be affected by factors such as temperature, solvent type and compound purity. Generally speaking, increasing temperature can increase its solubility in solvents.
    What are the synthesis methods of 3-methylbenzo [b] thiophene-2-carboxylic acid?
    There are various methods for the synthesis of 3-methylindolo [b] quinoline-2-carboxylic acid, which are described in detail below.
    First, the nucleophilic substitution reaction can be used. Using suitable halogenated aromatics and nitrogen-containing heterocyclic compounds as raw materials, under the action of bases and catalysts, the nucleophilic substitution of the two occurs, and the basic structure of indolo-quinoline is first constructed. Subsequently, carboxyl groups are introduced at the target position through a specific carboxylation reaction. In this process, the selection of halogenated aromatics is the key, and it needs to be carefully determined according to the reactivity and positioning rules. The type and dosage of bases and catalysts also have a great impact on the reaction process and yield. < Br >
    Second, using the cyclization reaction strategy. Select a chain-like compound with suitable functional groups, and undergo intramolecular cyclization under appropriate conditions to form the structure of indolo-quinoline. After that, the obtained product is modified to add carboxyl functional groups. For example, a compound containing alkenyl, amino and other functional groups is used as a starting material to induce cyclization in an acidic or basic catalytic environment. The difficulty of this path lies in the precise control of the cyclization reaction conditions. Factors such as temperature, reaction time, and catalyst activity will affect the selectivity and purity of the cyclization products.
    Third, the coupling reaction catalyzed by transition metals is used. With the help of the unique activity of transition metal catalysts, different organic fragments are coupled to construct complex indolo-quinoline structures. For example, palladium-catalyzed cross-coupling reactions can effectively connect different aryl or alkenyl halides with nitrogen-containing nucleophiles. After the main structure is synthesized, carboxyl groups are introduced through subsequent reactions. Using this method, the selection of transition metal catalysts, the design of ligands, and the screening of reaction solvents are all key points that affect the success or failure of the reaction.
    Fourth, the idea of biomimetic synthesis can also be considered. Simulate the process of biosynthesis of such compounds in nature, starting from simple natural products or biologically active intermediates, and gradually construct target molecules through a series of enzymatic or enzyme-like catalytic reactions. Although this method has the concept of green chemistry, it requires strict reaction conditions, and there are certain challenges in obtaining and maintaining the activity of biological enzymes.
    What is the main use of 3-methylbenzo [b] thiophene-2-carboxylic acid?
    3-Methylpyridino [b] indole-2-carboxylic acid, this compound has important uses in the fields of medicine and materials science.
    In medicine, it plays a significant role in the development of anti-tumor drugs. Numerous studies have shown that this substance can effectively inhibit the proliferation of tumor cells. Its mechanism of action is that it can precisely act on specific signaling pathways within tumor cells. For example, it can regulate the activity of certain protein kinases closely related to cell cycle regulation, which in turn makes the proliferation cycle of tumor cells blocked and cannot continue to divide and grow. At the same time, it can also induce apoptosis of tumor cells, and promote programmed death of tumor cells by activating a series of apoptosis-related signaling molecules, providing a new active ingredient and idea for the development of anti-tumor drugs.
    In the exploration of drugs for neurological diseases, 3-methylpyridyl [b] indole-2-carboxylic acid also shows potential value. It may have a positive impact on the metabolism of neurotransmitters and the signaling of nerve cells. For example, it can regulate the release and uptake of important neurotransmitters such as dopamine and glutamate. For neurodegenerative diseases such as Parkinson's disease and Alzheimer's disease, it may be possible to correct neurotransmitter imbalances to improve patients' symptoms and bring new hope for the treatment of such diseases.
    In the field of materials science, it can be used as a key synthetic raw material for a class of functional materials. In the preparation of organic optoelectronic materials, with its unique molecular structure and electronic properties, it can endow materials with excellent optical and electrical properties. For example, by introducing it into the organic Light Emitting Diode (OLED) material system, the luminous efficiency and stability of the material can be optimized, making the OLED screen better in display effect, with clearer and brighter images, helping display technology to a higher level.
    What are the precautions for 3-methylbenzo [b] thiophene-2-carboxylic acid during storage and transportation?
    When storing and transporting 3-methylindolo [b] quinazoline-2-carboxylic acid, many matters need to be paid attention to.
    First, this is a chemical substance with special properties. When storing, make sure the environment is dry and cool. If the environment is humid, it is very easy to cause the substance to be damp, which will affect its chemical structure and properties, or reduce the purity, or cause chemical reactions to cause it to deteriorate. And if the temperature is too high, it may cause reactions such as thermal decomposition, which will damage its quality.
    Second, the storage place should be kept well ventilated. Because of its special odor, and some chemicals under specific conditions or produce harmful gases. Only with good ventilation can such gases be discharged in time to ensure the safety of the storage space and avoid the accumulation of harmful gases that pose a hazard to personnel and the surrounding environment.
    Furthermore, during transportation, the packaging must be strong and sealed. This substance may be damaged by vibration or collision. The strong packaging can effectively cushion the impact of external forces and prevent the leakage of the substance due to package rupture. Sealed packaging can avoid contact with outside air, moisture, etc., to maintain its stability.
    In addition, transportation and storage personnel should be familiar with the basic characteristics of the substance and emergency treatment methods. In the event of an unexpected situation such as leakage, they can respond quickly and correctly to avoid the expansion of the harm. At the same time, it is necessary to strictly follow the relevant regulations and standards, whether it is the choice of storage location, or the specification of transportation process, all must be legal compliance to ensure the safety of the whole process. In this way, the storage and transportation of 3-methylindole [b] quinazoline-2-carboxylic acid can be properly carried out to prevent adverse consequences caused by improper operation.