2-(Tert-Butoxycarbonyl)-5,7-Dichloro-1,2,3,4-Tetrahydroisoquinoline-6-Carboxylic Acid

This is the chemical structure of 2- (tert-butoxycarbonyl) -5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid.
To clarify its chemical structure, let's look at its name first. "2- (tert-butoxycarbonyl) " means that the tert-butoxycarbonyl is attached to the 2nd position of the isoquinoline ring. Tert-butoxycarbonyl, with the structure of - (CO) O - C (CH 🥰), has the function of protecting amino groups.
"5,7-dichloro", the chlorine atom is at the 5th and 7th positions of the isoquinoline ring.
"1,2,3,4-tetrahydroisoquinoline", which is the hydrogenation of the 1, 2, 3, and 4 positions of the isoquinoline ring, resulting in the degree of unsaturation. The isoquinoline ring is a nitrogen-containing thick heterocyclic ring with a benzene ring and a pyridine ring. After tetrahydrogenation, part of the double bond on the ring is hydrogenated to form a single bond.
"6-carboxylic acid", which means that the carboxyl group (-COOH) is connected to the 6 position of the isoquinoline ring.
In summary, the chemical structure of this compound is 1, 2, 3, 4-tetrahydroisoquinoline as the parent ring, with tert-butoxycarbonyl at 2 positions, chlorine atoms at 5 and 7 positions, and carboxyl at 6 positions. Its structure is depicted as follows: the isoquinoline ring is modified by tetrahydrogens, with 2 positions connected to - (CO) O - C (CH 🥰), 5 and 7 positions connected to chlorine atoms, and 6 positions connected to - COOH. This structure makes the compound have specific chemical activity and reactivity, and may have important uses in organic synthesis, pharmaceutical chemistry and other fields.

2-% 28Tert - Butoxycarbonyl% 29 - 5% 2C7 - Dichloro - 1% 2C2% 2C3% 2C4 - Tetrahydroisoquinoline - 6 - Carboxylic Acid, Chinese name or 2 - (tert-butoxycarbonyl) - 5,7 - dichloro - 1,2,3,4 - tetrahydroisoquinoline - 6 - carboxylic acid. This compound has a wide range of uses and is often used as a key intermediate in the field of medicinal chemistry.
First, when preparing specific drugs for drug development, the obtained new compounds can have unique biological activities and pharmacological properties by modifying their structures. For example, if a small molecule drug targeting a specific disease target is developed, the compound can interact with the target due to its structural characteristics. After rational chemical modification, its affinity and selectivity with the target can be optimized, the drug efficacy can be enhanced, and adverse reactions can be reduced.
Second, in the field of organic synthetic chemistry, it is an important module for building complex organic molecular structures. With its various active functional groups, such as carboxyl, tert-butoxycarbonyl, and chlorine atoms, it can be connected to other organic fragments through various organic reactions, such as nucleophilic substitution, esterification, amidation, etc., to realize the construction of complex organic molecules, laying the foundation for the synthesis of organic compounds with potential biological activities or special functions. Third, in the field of biological activity research, scientists use it as a starting material to synthesize a series of derivatives, test the effects of these derivatives on specific biological processes or disease-related targets, explore the relationship between structure and activity, and provide theoretical basis and lead compounds for the development of new therapeutic drugs or bioactive molecules.

To prepare 2- (tert-butoxycarbonyl) -5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid, the method is as follows:
First, 5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid is used as the starting material. This compound can be obtained from the corresponding aromatic compound through multi-step reaction. First, the aromatic compound is reacted with a suitable halogenating agent such as a chlorination agent, and a chlorine atom is introduced at the designated position to obtain a chlorine-containing aromatic intermediate.
times, the chlorine-containing intermediate is reacted with a tert-butoxycarbonylation reagent, such as di-tert-butyl dicarbonate (Boc 2O O). This reaction is carried out in suitable solvents, such as dichloromethane, tetrahydrofuran, etc., and often requires the catalysis of bases, such as triethylamine, N, N -diisopropyl ethylamine, etc. The base can assist in the generation of nucleophilic species and promote the smooth connection of tert-butoxycarbonyl to the isoquinoline nitrogen atom, resulting in 2 - (tert-butoxycarbonyl) -5,7 -dichloro-1,2,3,4 -tetrahydroisoquinoline-6 -carboxylic acid.
After the reaction is completed, the product needs to be separated and purified. It can be separated by column chromatography with silica gel as the fixed phase and a suitable eluent such as petroleum ether and ethyl acetate mixed liquid layer. Or use recrystallization method, select suitable solvent, heat to dissolve the product, filter while hot to remove impurities, cool crystallization, and obtain pure product. In this way, the target 2 - (tert-butoxycarbonyl) -5,7 - dichloro-1,2,3,4 - tetrahydroisoquinoline-6 - carboxylic acid.

2-%28Tert-Butoxycarbonyl%29-5%2C7-Dichloro-1%2C2%2C3%2C4-Tetrahydroisoquinoline-6-Carboxylic + Acid is 2- (tert-butoxycarbonyl) -5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid, the physical properties are as follows:
It is an important class of compounds in organic synthesis. From the appearance point of view, it is often white to off-white solid, which is very critical for identification and operation. Its melting point is also an important physical property, but the exact melting point varies depending on the preparation method and purity, and usually needs to be accurately determined experimentally.
On solubility, the compound exhibits different solubility properties in common organic solvents. In dichloromethane, N, N-dimethylformamide (DMF) and other organic solvents, it has good solubility, which is conducive to uniform dispersion in the reaction system as a reactant or intermediate in the organic synthesis reaction, and promotes the smooth progress of the reaction. However, the solubility in water is poor, because the molecular structure of the compound contains hydrophobic tert-butoxycarbonyl and halogen atoms and other groups, making it difficult to form effective interactions with water molecules.
From the perspective of chemical properties, the carboxyl group in the molecule is acidic and can neutralize with the base to form the corresponding carboxylate. Tert-butoxycarbonyl is a commonly used amino protecting group, which can be selectively removed under specific conditions. This property is of great significance in the synthesis of polypeptides and complex nitrogen-containing compounds, which can effectively protect the amino group and avoid unnecessary reactions during the reaction. The chlorine atom in the molecule can participate in nucleophilic substitution reactions, etc. Through suitable nucleophilic reagents, the chlorine atom can be replaced by other functional groups, thereby realizing molecular structure modification and functionalization, providing the possibility for the synthesis of derivatives with diverse structures.

Today there is a question about the price range of 2 - (tert-butoxycarbonyl) - 5,7 - dichloro - 1,2,3,4 - tetrahydroisoquinoline - 6 - carboxylic acid in the market. This is an important issue in the field of fine chemicals.
However, it is difficult to determine its price. Due to the changeable market conditions, and the price of this compound is affected by many factors. Its preparation process is complicated, and the cost of raw materials and the difficulty of synthesis steps all affect its output cost, which in turn affects its selling price. If raw materials are scarce and difficult to find, or synthesis requires special conditions and high-end technology, the cost will be high, and the price will also rise.
Furthermore, the supply and demand situation is also critical. If the market demand for this product is strong, but the supply is limited, the price will rise; conversely, if the supply exceeds the demand, the price may drop. And different suppliers have different pricing due to their own advantages and business strategies. Large scale, superior technology, or due to effective cost control, the price is slightly lower; small suppliers or due to cost considerations, the price is slightly higher.
From the perspective of common fine chemicals, if these compounds are used in high-end fields such as pharmaceutical research and development, the price may be very high, or hundreds or even thousands of yuan per gram; if used in general scientific research and exploration, the purity requirements are slightly lower, and the price may be relatively low, or tens to hundreds of yuan per gram. However, this is all speculation, and the actual price needs to be consulted in detail with each supplier to compare their quotations in order to obtain a more accurate price range.