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What is the chemical structure of (3S) -2- (tert-butoxycarbonyl) -1,2,3, 4-tetrahydroisoquinoline-3-carboxylic acid?
This is the problem of (3S) -2- (tert-butoxycarbonyl) -1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid. Its chemical structure can be described as follows.
This compound contains a tetrahydroisoquinoline parent nucleus, which is hydrogenated at the 1, 2, 3, and 4 positions of the isoquinoline ring in a saturated state. At the 2 position, tert-butoxycarbonyl is connected, that is, -C (CH) 🥰 is connected to -O-CO-. This tert-butoxycarbonyl is often used as an amino protecting group in organic synthesis. Carboxyl-COOH is attached to the 3-position, and the 3-position has an S configuration, indicating that the spatial arrangement of the chiral center at this location is designated as S-type by the Cahn-Ingold-Prelog rule. Overall, its chemical structure is unique, composed of specific parent nuclei and protective groups, carboxyl groups and specific chiral centers. It has specific reactivity and potential application value in the fields of organic synthesis and medicinal chemistry due to its structural characteristics.
What are the main uses of (3S) -2- (tert-butoxycarbonyl) -1,2,3, 4-tetrahydroisoquinoline-3-carboxylic acid?
(3S) -2- (tert-butoxycarbonyl) -1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, which is a crucial compound in the field of organic synthesis. It is widely used in the field of medicinal chemistry and is often used as a key intermediate for the synthesis of biologically active compounds. In the process of many drug development, this compound can be used as a starting material and go through a series of chemical reactions to build molecules with complex structures and specific pharmacological activities, such as the development of drugs for the treatment of neurological diseases. This compound may play a key role in the construction of the core skeleton.
It is also a favored model substrate in the study of organic synthesis methodologies. Researchers can develop novel and efficient synthesis methods by exploring the chemical reactions they participate in. For example, studying the reaction of it with different reagents under specific conditions can expand the strategies and means of organic synthesis and contribute to the development of organic chemistry.
Furthermore, in the field of materials science, (3S) -2- (tert-butoxycarbonyl) -1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid can be used to prepare functional materials after appropriate chemical modification. Its unique structure endows materials with certain special properties, such as optical properties, electrical properties, etc., thus meeting the needs of special materials in different fields.
To sum up, (3S) -2 - (tert-butoxycarbonyl) -1, 2, 3, 4 - tetrahydroisoquinoline - 3 - carboxylic acids are of great significance and broad application prospects in the fields of medicine, organic synthesis and materials science.
What are the synthesis methods of (3S) -2- (tert-butoxycarbonyl) -1,2,3, 4-tetrahydroisoquinoline-3-carboxylic acid?
The synthesis method of (3S) -2- (tert-butoxycarbonyl) -1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, although the synthesis method of this substance is not contained in the classic "Tiangong Kaizi", it can be deduced according to the ancient organic synthesis ideas.
To form this substance, you can first take a suitable isoquinoline derivative as the starting material. Modify it with ancient chemical concepts, or find natural substances containing such structures. Or start from simple aromatics and nitrogen-containing compounds to construct isoquinoline skeletons.
If phenethylamine compounds and carbonyl compounds are used as the starting point, through condensation reaction, the isoquinoline parent nucleus is constructed. This condensation reaction may require a mild acid or base as a catalyst and is carried out at an appropriate temperature to allow the two to condense smoothly to form a product containing isoquinoline structure.
Then, the obtained product is modified at the 2-position and 3-position. Introduce tert-butoxycarbonyl at the 2-position, and a tert-butoxycarbonylation reagent such as di-tert-butyl dicarbonate can be selected. This reaction can be successfully connected to the 2-position by tert-butoxycarbonyl with a suitable base such as triethylamine.
As for the introduction of the 3-position carboxyl group, a suitable group that can be converted to a carboxyl group, such as a halogen atom, can be introduced before the 3-position. After substitution reaction, a reagent containing a carboxyl group precursor reacts with it to obtain a carboxyl group. Or through oxidation reaction, a suitable substituent is oxidized to a carboxyl group, such as oxidizing the 3-position alcohol hydroxyl group to a carboxyl group. This oxidation process may use a mild oxidizing agent to ensure that other groups are not affected.
The whole process of synthesis requires attention to the control of reaction conditions. Temperature and pH must be accurately controlled. After each step of the reaction, appropriate separation and purification methods must be used to remove impurities and obtain a pure product. Only then can we advance one by one to obtain (3S) 2- (tert-butoxycarbonyl) -1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid.
What are the physical properties of (3S) -2- (tert-butoxycarbonyl) -1,2,3, 4-tetrahydroisoquinoline-3-carboxylic acid?
(3S) 2- (tert-butoxycarbonyl) -1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, which is an important compound in the field of organic chemistry. Its physical properties are unique and of great significance for chemical synthesis and drug development.
Looking at its properties, it is mostly white to quasi-white solid under normal conditions, which is easy to store and operate. In many chemical reactions, the solid form provides a stable substrate for the reaction, so that the reaction proceeds in an orderly manner according to the established path.
When it comes to the melting point, the melting point of this compound is about 120-125 ° C. Melting point, as a key physical parameter, can not only be used to identify the purity of the compound, but also provide an accurate reference for controlling the reaction conditions and purified products during the synthesis and separation process. When the temperature gradually rises to the melting point, the compound transitions from solid to liquid state, which has a profound impact on its subsequent processing and application.
Solubility is also one of its important physical properties. (3S) -2- (tert-butoxycarbonyl) -1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is slightly soluble in water, but easily soluble in common organic solvents such as dichloromethane, chloroform and N, N-dimethylformamide (DMF). This solubility characteristic is of great practical value in organic synthesis. Researchers can select suitable solvents according to the reaction requirements to optimize the reaction environment, improve the reaction efficiency and product yield. In the field of drug research and development, solubility is related to the absorption, distribution, metabolism and excretion of drugs in the body, and has a great impact on the efficacy and safety of drugs.
In addition, the density of this compound is about 1.2 g/cm ³, and the density reflects the unit volume mass of the substance. In chemical production and experimental operations, it is of great significance for accurate measurement and reaction ratio. Accurate control of the density data can ensure that the proportion of each component of the reaction system is appropriate, and then the reaction can be carried out efficiently and stably.
What is the market price of (3S) -2- (tert-butoxycarbonyl) -1,2,3, 4-tetrahydroisoquinoline-3-carboxylic acid?
Now you want to know the market price of (3S) -2- (tert-butoxycarbonyl) -1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid. However, the price of this compound often varies due to market fluctuations, quality differences, different suppliers and other factors.
For accurate prices, you can go to chemical trading platforms, such as Sinopharm Network, search banner, etc. Such platforms list a large number of chemical reagents, and often attach prices, which can be quoted by different merchants. Or ask chemical reagent suppliers, such as Sigma-Aldrich, TCI, etc., who may be able to give you exact quotations based on quantity and required purity.
If there is a high demand for this compound, you may wish to negotiate with the supplier for bulk discounts. In addition, factors such as the difficulty of synthesis and market demand will also affect the price. If the synthesis is complex and the demand is high, the price may be high; conversely, if the synthesis is easy and the demand is small, the price may be low. Therefore, if you want to know its market price, it is advisable to inquire through multiple channels and consider all factors comprehensively to obtain an appropriate price.