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What is the chemical structure of 2-N-Boc-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid?
The chemical structure of 2-N-Boc-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid has a specific composition and connection method. In this compound, Boc is tert-butoxycarbonyl, which is the protective group of the amino group and is attached to the nitrogen atom. The 1,2,3,4-tetrahydroisoquinoline part is hydrogenated from the double bond of the isoquinoline ring to obtain the tetrahydrogenated structure, showing a unique cyclic structure. Furthermore, the 1-carboxylic acid part is connected to the carboxyl group at the first position of the isoquinoline ring, giving this compound specific chemical activity and reaction characteristics. Overall, the chemical structure of 2-N-Boc-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid is composed of a nitrogen atom protected by tert-butoxycarbonyl, a tetrahydroisoquinoline ring, and a carboxyl group. This unique structure makes it show important application potential in organic synthesis, medicinal chemistry, and other fields. It can be used as a key intermediate to participate in a variety of chemical reactions to construct more complex compound structures.
What are the main uses of 2-N-Boc-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid?
2-N-Boc-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid is a key compound in the field of organic synthesis and has a wide range of uses.
First, in the field of medicinal chemistry, this compound is often used as a key intermediate for the synthesis of many biologically active molecules. In the process of many drug development, by modifying and modifying its structure, new compounds with specific pharmacological activities can be obtained. For example, in the development of drugs related to neurological diseases, through subtle adjustment of its structure, drugs that have specific effects on neurotransmitter receptors can be synthesized, or can help treat nervous system diseases such as epilepsy and Parkinson's disease.
Second, in the study of organic synthesis methodologies, it can serve as a substrate to explore novel organic reactions. Chemists use it as a raw material to try to develop new bonding methods and reaction paths, thus enriching the means and strategies of organic synthesis. For example, using it to carry out transition metal-catalyzed reactions, explore new methods for efficiently constructing complex organic molecular structures, and promote the continuous development of organic synthesis chemistry.
Third, it can also emerge in the field of materials science due to the functional group properties contained in its structure. It can be used as a building unit to participate in the preparation of functional materials, such as materials with specific optical and electrical properties, providing new options and directions for the development of materials science.
What are the synthesis methods of 2-N-Boc-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid?
The synthesis of 2-N-Boc-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid is a key issue in the field of organic synthesis. There are many different ways to synthesize it.
First, isoquinoline is often used as the starting material. First, the nitrogen atom is protected with a suitable protecting group to form 2-N-Boc-isoquinoline. Then, by hydrogenation reaction, in the presence of suitable catalysts such as palladium carbon, hydrogen is applied to hydrogenate the double bond of isoquinoline, and then 2-N-Boc-1,2,3,4-tetrahydroisoquinoline is obtained. Finally, through carboxylation reaction, under specific reaction conditions, such as carbon dioxide as the carboxyl source, with appropriate bases and catalysts, carboxyl groups can be introduced to obtain the target product 2-N-Boc-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid.
Second, phenethylamine and acrylate can also be used as starting materials. The two are first reacted by Mannich to construct the basic skeleton of tetrahydroisoquinoline. Subsequently, the nitrogen atom is Boc protected to form a 2-N-Boc-1,2,3,4-tetrahydroisoquinoline structure. Finally, through a series of reactions such as hydrolysis and oxidation, under suitable reagents and conditions, the specific group is converted into a carboxyl group to achieve the synthesis of the target product.
Furthermore, the tetrahydroisoquinoline ring system was constructed using o-halobenzyl halide and enamide as starting materials through a series of steps such as nucleophilic substitution reaction and intramolecular cyclization reaction. Then Boc protection was carried out, and finally carboxylation was used to successfully synthesize 2-N-Boc-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid. Each method has its advantages and disadvantages. In actual synthesis, it is necessary to carefully choose the appropriate synthesis path according to many factors such as the availability of raw materials, the difficulty of reaction, and the purity requirements of the product.
What are the physical and chemical properties of 2-N-Boc-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid?
2-N-Boc-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid is an important compound in the field of organic synthesis. Its physical and chemical properties are as follows:
Looking at its properties, it is mostly white to light yellow solid under normal conditions, which is easy to identify and preliminarily judge. In terms of solubility, the compound exhibits good solubility in common organic solvents such as dichloromethane, N, N-dimethylformamide (DMF), and can be miscible with these solvents, providing a convenient condition for organic synthesis reactions. Because many reactions need to be carried out in a solution environment, suitable solubility can make the reaction substrate fully contact and promote the smooth development of the reaction. However, its solubility in water is poor, which is related to the large proportion of hydrophobic groups in its molecular structure.
When it comes to melting point, 2-N-Boc-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid has a specific melting point range, which is between about 130 ° C and 135 ° C. Melting point, as a key physical property of a compound, can not only be used to identify the purity of the compound, but also to assist in judging whether it has deteriorated. If the purity of the compound is high, the melting point is usually close to the theoretical value and the melting range is narrow; if it contains impurities, the melting point may be reduced and the melting range may be widened.
From the perspective of chemical stability, the compound is relatively stable under conventional conditions, but it should be noted that its Boc protecting group is prone to deprotection under acidic conditions. For example, under the action of strong acids such as hydrochloric acid, the Boc group will leave to form 1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid. This reaction property is extremely important in organic synthesis, and can be used to selectively remove the protecting group to achieve the synthesis of the target product. At the same time, the carboxyl group in the molecule has the typical chemical properties of carboxylic acid, which can neutralize with bases to form corresponding carboxylate salts; it can also be esterified with alcohols under acid catalysis to form ester compounds. These reactions are often used in organic synthesis to construct more complex compound structures.
What is the price range of 2-N-Boc-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid in the market?
I don't know if 2-N-Boc-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid is in the market price range. This compound is very familiar, and its price is determined by many factors.
First, the purity has a great impact on the price. If the purity is very high, it is close to the medicinal grade, and the price must be high; if it is only the ordinary experimental grade purity, the price may be slightly lower. Second, the scale of production is also related. In large-scale production, due to the scale effect, the unit cost may drop, and the price will also drop; if it is customized production in small batches, the cost will be high, and the price will be high. Third, the market supply and demand relationship has a significant impact. If there is a lot of demand and the supply is scarce, the price will rise; if there is little demand and the supply is sufficient, the price may stabilize or drop.
Furthermore, different suppliers have different pricing strategies. Some well-known and reputable suppliers may have higher prices due to factors such as brand and quality control; some emerging or small suppliers may be more affordable in order to compete for market share.
For the exact price range, you can consult chemical product suppliers, chemical reagent sales platforms, or relevant professional chemical markets. Through multi-party comparison and inquiry, a more accurate price range can be obtained.