Chemical Formula | C12H17NO2S |
Molecular Weight | 239.34 |
Appearance | Solid (usually) |
Odor | Typically has a characteristic odor |
Melting Point | Specific value would depend on purity, but in a certain range |
Solubility In Water | Low solubility in water |
Solubility In Organic Solvents | Soluble in some organic solvents like ethanol, dichloromethane |
Pka | Value related to its acidic - basic properties |
Stability | Stable under normal conditions, but may react with strong oxidizing agents |
What are the chemical properties of methyl 2-amino-6-methyl-4,5,6, 7-tetrahydro-1-benzothiophene-3-carboxylate
This is a methyl 2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ester, which is an organic compound with specific chemical properties.
From a structural point of view, this compound contains a benzothiophene parent nucleus, and has an amino group at the 2nd position, a methyl group at the 6th position, a methyl group at the 3rd position, and a tetrahydrogen structure at the 4th, 5th, 6th, and 7th positions.
In terms of physical properties, most of these compounds are solid. Because they contain multiple polar groups, they may have certain solubility in polar solvents such as methanol and ethanol. However, the exact solubility varies depending on the intermolecular interaction and crystal morphology.
In terms of chemical properties, amino groups are basic and can react with acids to form salts. This property is used in drug synthesis or to improve the water solubility of compounds to enhance bioavailability. Methyl ester groups are chemically active and can undergo hydrolysis reactions. Under the catalysis of acids or bases, hydrolysis generates corresponding carboxylic acids and methanol. Benzothiophene rings are rich in electrons and can undergo electrophilic substitution reactions, such as halogenation, nitrification, sulfonation, etc. Different functional groups are introduced to expand their chemical properties and application range. The tetrahydro structure makes the molecule flexible, which may affect its biological activity and interaction with biological targets.
In summary, the chemical properties of methyl 2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate are determined by its structure, which lays the foundation for research and application in the fields of organic synthesis and medicinal chemistry.
What are the synthesis methods of methyl 2-amino-6-methyl-4,5,6, 7-tetrahydro-1-benzothiophene-3-carboxylate
The synthesis of methyl 2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid esters has many paths to follow.
First, sulfur-containing aromatics can be initiated. First, the sulfur-containing aromatics and haloalkanes are alkylated in the presence of suitable bases and solvents, and alkyl groups such as methyl are introduced into the aromatic ring. Then, with the help of specific electrophilic reagents, electrophilic substitution occurs at specific positions in the aromatic ring to construct the thiophene ring part. At this time, the reaction conditions, such as temperature, reagent ratio, etc., need to be precisely adjusted to ensure that the thiophene ring is constructed at the desired position. Subsequently, the carboxyl group is introduced at the appropriate check point of the thiophene ring, which can be reacted with carbon dioxide by Grignard reagent or achieved by other carboxylation methods. Finally, the carboxyl group is converted to the methyl ester group, and the common method is to esterify with methanol under the action of acid catalyst. At the same time, the amino group can be introduced at the designated position by suitable amination reagents.
Second, it can also start from thiophene derivatives. The thiophene derivative is first hydrogenated to achieve the construction of the 4,5,6,7-tetrahydrogen structure. This step requires the selection of an appropriate catalyst, such as a metal catalyst, to control the reaction pressure and temperature to ensure that the hydrogenation reaction occurs precisely at the desired double bond position. After that, according to the above-mentioned similar method, methyl and carboxyl groups are introduced and converted into methyl ester groups in sequence, and amino groups are introduced.
Furthermore, it is also feasible to use benzothiophene compounds as raw materials. The tetrahydro structure can be formed by selectively reducing part of the double bond of benzothiophene. Then, a series of substitution reactions are used to introduce methyl, amino and carboxyl ester groups necessary for the target molecule one by one. During the entire synthesis process, each step of the reaction needs to be carefully controlled, and the reaction intermediates are strictly separated and identified to ensure that the final product is pure methyl 2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Methyl 2-amino-6-methyl-4,5,6, 7-tetrahydro-1-benzothiophene-3-carboxylate are used in which fields
Methyl-2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ester, this compound is used in medicine, material science and other fields.
In the field of medicine, due to its unique chemical structure, it has great potential in drug development. Or it can be used as a lead compound, which can be modified and optimized to develop new therapeutic drugs. For example, studies have found that it has a certain affinity for specific receptors, which is expected to be used to develop drugs for neurological diseases, such as some neurodegenerative diseases, by modulating the function of related receptors to relieve the disease.
In the field of materials science, it can be used to prepare functional materials. Because it contains special groups, it can give materials unique properties. For example, introducing it into polymer materials can improve the optical and electrical properties of materials, and make special-purpose optical films or conductive polymers for electronic device screens, sensors and other components.
It may also act as a key intermediate in the field of organic synthesis. Through various chemical reactions, different functional groups are connected to build complex organic molecular structures, providing a foundation for the synthesis of more valuable compounds, expanding the boundaries of organic synthesis, and facilitating the creation of new organic materials and drugs.
What is the market outlook for methyl 2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Methyl-2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, this compound has potential application value in the field of pharmaceutical research and development.
Looking at the past market situation, although it is not a well-known bulk chemical, it has a place in the specific pharmaceutical intermediate market. Due to the synthesis path of some innovative drugs, such sulfur-containing heterocyclic compounds are often required as key raw materials.
In the past few years, with the deepening of medical research, many research teams have focused on the creation of new anti-infection and anti-tumor drugs, and the unique structure of these compounds can just meet the needs of specific drug molecule design. Therefore, the market demand for it is slowly rising.
As for the supply side, the number of manufacturers producing this compound is limited. Due to the difficulty of the synthesis process, the reaction conditions need to be precisely controlled, and it involves multi-step organic synthesis, which requires strict technical requirements. Therefore, only a few companies with deep technical expertise can achieve stable mass production.
In terms of market price, due to the relatively tight supply and demand relationship and the high production cost, the price has always been maintained in a high range. However, with technological innovation, if the synthesis process can be effectively optimized and the production cost can be reduced, it is expected to increase the market supply and then prompt a moderate price correction. Overall, its market prospects, although facing challenges, but opportunities coexist, and the future development trend deserve the continued attention of the industry.
What are the precautions in the preparation of methyl 2-amino-6-methyl-4,5,6, 7-tetrahydro-1-benzothiophene-3-carboxylate
When preparing methyl 2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ester, there are many urgent things to pay attention to.
First, the selection and quality of raw materials are crucial. The selected raw materials must be pure, and if there are many impurities, it will affect the purity and yield of the product. Just like craftsmen creating utensils, if the initial materials are poor, the finished product will not be a high-quality product. The storage of raw materials must also be proper, moisture-proof, oxidation-proof, etc., otherwise its properties will change and the reaction will be difficult to achieve expectations.
Second, the reaction conditions need to be precisely controlled. In terms of temperature, either too high or too low is not good. If the temperature is high, the reaction may be out of control and side reactions will increase; if the temperature is low, the reaction rate will be slow, time-consuming, and even incomplete. Just like cooking, if the heat is not appropriate, the dish will lose its taste. The reaction time should also be just right. If it is too short, the reaction will not be completed, and if it is too long, it will cause product decomposition or overreaction.
Third, the choice of solvent should not be ignored. Different solvents have an impact on the solubility, reaction rate, and selectivity of the reaction. Choosing the right solvent is like setting a solid stage for the reaction to make the reaction proceed smoothly.
Fourth, the operation process must be rigorous. The feeding sequence should not be wrong, and the stirring should be uniform to ensure that the reactants are in full contact. And the reaction equipment should be clean to avoid < Br >
Fifth, product separation and purification are also critical. Crude products often contain impurities, and appropriate methods such as recrystallization and column chromatography need to be used to purify to obtain high-purity products, just like panning gold in sand, removing voids and storing cyanine.