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What is the chemical structure of 6- (tert-butoxycarbonyl) -4,5,6,7-tetrahydrothieno [2,3-c] pyridine-3-carboxylic acid?
We are looking for the chemical structure of (acetoxy) -4,5,6,7-tetrahydrobenzofurano [2,3-c] pyridine-3-carboxylic acid. The structure of this compound is quite complex, let me go into it in detail.
Its core structure is the fusion of benzofuranopyridine. Benzofurans are formed by fusing benzene ring with furan ring. Furan ring has the characteristics of an unsaturated five-membered ring, which contains a single oxygen atom, and its electron cloud distribution is unique, giving this ring a specific chemical activity. Benzene ring is a six-membered aromatic ring, and the stability of its conjugated system has a great influence on the electron cloud distribution and chemical properties of the whole structure.
Furthermore, the pyridine ring is also a six-membered heterocycle, in which one carbon atom is replaced by a nitrogen atom. The nitrogen atom of the pyridine ring has a lone pair electron, which makes it different from the benzene ring and exhibits unique properties in chemical reactions. Benzofuran and the pyridine ring are fused in a [2,3-c] manner, and this specific connection method determines the spatial configuration and electron cloud orientation of the entire fused ring system.
As for (acetoxy), it is a functional group formed by the combination of acetyl and hydroxyl groups, which is attached to the overall structure. Acetyl-COCH has a certain electron-withdrawing property, which affects the electron cloud density of connected atoms, thereby changing the properties and reactivity of surrounding chemical bonds.
And the modification of 4,5,6,7-tetrahydro indicates that part of the double bond in the structure of benzofuranopyridine is hydrogenated, and the structure is changed from an unsaturated conjugated system to a partially saturated structure. This change not only affects the stability of the molecule, but also has a significant effect on its physical and chemical properties.
Finally, -3-carboxylic acid shows that carboxyl-COOH is connected at position 3 of the overall structure. Carboxyl groups are acidic and can participate in many acid-base reactions and esterification and other organic reactions, which have a profound impact on the chemical properties of this compound.
In summary, the chemical structure of (acetoxy) -4,5,6,7-tetrahydrobenzofurano [2,3-c] pyridine-3-carboxylic acid is composed of a complex fused ring system and specific functional groups. Each part affects each other to determine its unique chemical properties and reactivity.
What are the main uses of 6- (tert-butoxycarbonyl) -4,5,6,7-tetrahydrothieno [2,3-c] pyridine-3-carboxylic acid
(6- (acetoxy) -4,5,6,7-tetrahydroindazolo [2,3-c] pyridine-3-carboxylic acid) The main uses are:
This compound is widely used in the field of medicinal chemistry. In drug development, it can be used as a key intermediate for the synthesis of drug molecules with specific biological activities. Due to its unique chemical structure, compounds with high affinity and selectivity for specific targets can be obtained through modification and derivatization.
In the research and development of neurological drugs, relevant studies have found that derivatives based on the structural modification of this compound have regulatory effects on some neurotransmitter receptors, and are expected to be developed as potential drugs for the treatment of neurodegenerative diseases such as Alzheimer's disease and Parkinson's disease. By regulating the transmission of neurotransmitters, it improves the signal exchange between nerve cells, thereby alleviating disease symptoms.
In the research of anti-tumor drugs, it also shows certain potential. Some compounds based on it have shown inhibitory activity on the proliferation of tumor cells in vitro cell experiments. It may act by interfering with the metabolic pathways of tumor cells and inducing tumor cell apoptosis, providing a new structural template for the development of new anti-tumor drugs.
In the field of cardiovascular drug research and development, its structural analogs have been studied to regulate the physiological functions of the cardiovascular system. For example, some derivatives can affect the contraction and relaxation of vascular smooth muscles, have potential effects on blood pressure regulation, and provide ideas for the development of therapeutic drugs for cardiovascular diseases such as hypertension.
In short, 6- (acetoxy) -4,5,6,7-tetrahydroindazolo [2,3-c] pyridine-3-carboxylic acids play an important role in the development of therapeutic drugs for various diseases due to their unique structure, and are an important object of attention and research by pharmaceutical chemists.
What are the synthesis methods of 6- (tert-butoxycarbonyl) -4,5,6,7-tetrahydrothieno [2,3-c] pyridine-3-carboxylic acid
To prepare 3-carboxyl-6- (tert-butoxycarbonyl) -4,5,6,7-tetrahydrobenzo [2,3-c] pyridazine, there are many synthesis methods, which are described in detail as follows:
First, the benzene ring derivative containing the corresponding substituent is used as the starting material. The group that can be converted into the pyridazine ring part is introduced at a specific position of the benzene ring first, such as by nucleophilic substitution reaction to access the nitrogen-containing active fragment. After a series of reactions to establish the pyridazine ring structure, the carboxyl group and the tert-butoxycarbonyl group are introduced or converted. This process requires fine regulation of reaction conditions to ensure the selectivity and yield of each step of the reaction. For example, in the presence of a specific temperature, pH and catalyst, the reaction occurs precisely at the target check point.
Second, the pyridazine compound is used as the parent to modify. Select suitable pyridazine derivatives, and gradually introduce 6- (tert-butoxycarbonyl), 3-carboxyl and other required functional groups into their molecular structure by means of chemical modification. During the modification process, the interaction between functional groups should be fully considered to prevent unnecessary side reactions. For example, the protective group strategy is used to protect the good tert-butoxycarbonyl from being affected when the carboxyl group is introduced. After the carboxyl group is successfully introduced and the reaction is stable, the protective group is removed or subsequent reactions are carried out as appropriate.
Third, the cyclization reaction strategy is adopted. The pyridazine ring is constructed by intracolecular cyclization reaction with a chain compound containing a suitable functional group as the starting material, and the corresponding substituent is introduced. This method requires clever design of the structure of the chain compound, so that under the appropriate reaction conditions, it can smoothly cyclize and form the structural skeleton of the target product. During the cyclization process, attention is paid to the reaction kinetics and thermodynamic factors to ensure that the cyclization reaction proceeds in the direction of generating the target product.
The above methods have their own advantages and disadvantages. In actual synthesis, it is necessary to comprehensively weigh many factors such as the availability of raw materials, the difficulty of reaction operation, cost considerations, and the purity requirements of the target product, and carefully select the optimal synthesis path. Only then can 3-carboxyl-6- (tert-butoxycarbonyl) -4,5,6,7-tetrahydrobenzo [2,3-c] pyridazine be efficiently prepared.
What are the physicochemical properties of 6- (tert-butoxycarbonyl) -4,5,6,7-tetrahydrothieno [2,3-c] pyridine-3-carboxylic acid
3- (acetoxy) -4,5,6,7-tetrahydroindazolo [2,3-c] pyridine-3-carboxylic acid, this compound has the following physical and chemical properties:
Its appearance often shows a specific crystalline form, the specific color is related to purity, and it may be white to off-white crystalline powder at high purity. Melting point is one of the important physical constants for identifying the compound. By accurately measuring the melting point, the purity and structure of the compound can be preliminarily judged. The solubility of the compound in different solvents varies significantly. In common organic solvents such as ethanol and dichloromethane, it may have a certain solubility, while the solubility in water is relatively low. This characteristic is of great significance for its separation, purification and preparation process selection.
From the perspective of chemical properties, the carboxyl group in its molecular structure is acidic and can neutralize with bases to generate corresponding carboxylic salts. At the same time, the nitrogen atom and other unsaturated bonds in the molecule make the compound have certain nucleophilic or electrophilic reactivity, and can participate in a variety of organic synthesis reactions, such as substitution reactions with halogenated hydrocarbons, thereby introducing different functional groups and further modifying its structure to meet different pharmacological or material performance requirements. In addition, due to the presence of multiple cyclic structures in its structure, it has certain stability, but under harsh conditions such as specific strong acids, strong bases or high temperatures, its structure may change, triggering reactions such as ring opening or rearrangement.
What is the price range of 6- (tert-butoxycarbonyl) -4,5,6,7-tetrahydrothieno [2,3-c] pyridine-3-carboxylic acid in the market?
The price range of 3- (acetoxy) -4,5,6,7-tetrahydrobenzo [2,3-c] furan-2-carboxylic acid in the market. This is a genus of fine chemicals, and its price varies depending on factors such as quality, quantity, supply and demand.
If the quality is good and pure, the price will be higher when the supply is less and the demand is more. It is common in the city, and its price per gram may be in the hundreds of gold, but the price may be slightly reduced when purchased in batches. If the quality is inferior and the impurity is more, although the quantity is large, the price is also low, or tens of gold ears per gram.
And the source is different, the price is also different. Those who come from an excellent factory have fine craftsmanship and good quality, and the price is often higher than that of other factories. In addition, fluctuations in the market, such as changes in raw material prices and political regulation, can make the price of this product fluctuate. Therefore, in order to know its exact price, it is necessary to carefully observe the current market conditions and consult suppliers to obtain the actual price.