6-Nitro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester

6 - Nitro - 3,4 - dihydro - 1H - isoquinoline - 2 - carboxylic acid tert - butyl ester, an organic compound. Its chemical structure is quite delicate and has many characteristics.
Among this compound, it contains the core structure of mono-3,4 - dihydro - 1H - isoquinoline. 1H - isoquinoline is a nitrogen-containing heterocyclic aromatic hydrocarbon, whose nitrogen atom occupies a specific position and has the characteristics of aromatics. At positions 3 and 4, it is in the dihydrogen state, that is, the carbon-carbon double bond of this two position is hydrogenated and reduced, resulting in partial saturation of the ring. This structural change affects the electron cloud distribution and chemical activity of the compound.
6-nitro (-NO -2), nitro is a strong electron-absorbing group, which can significantly change the electron density of the molecule and give the compound unique chemical and physical properties. Because of its strong electron-absorbing properties, it may affect the polarity, reactivity and spectral properties of the molecule.
In addition, the 2-position monocarboxyl group (-COOH), but here it is the tert-butyl ester form of carboxylic acid (-COO - t - Bu). Tert-butyl ester (-COO-t-Bu) can provide steric hindrance, increase molecular stability, and under specific conditions, tert-butyl can be removed by chemical means to release carboxyl groups for subsequent chemical modification and reaction.
Overall, the chemical structure of 6-Nitro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester is composed of a specific heterocyclic core, composed of nitro groups and carboxylic acid tert-butyl ester groups. The interaction of each part endows the compound with unique chemical properties and potential application value, and may have important uses in organic synthesis, medicinal chemistry and other fields.

6 - Nitro - 3,4 - dihydro - 1H - isoquinoline - 2 - carboxylic acid tert - butyl ester, Chinese name or 6 - nitro - 3,4 - dihydro - 1H - isoquinoline - 2 - tert-butyl carboxylate, this substance is widely used in the field of organic synthesis.
First, it can be used as a key intermediate in pharmaceutical chemistry. By ingeniously modifying and transforming its structure, it can build a diverse and complex chemical structure, paving the way for the creation of new drugs. For example, its nitro group, ester group and other functional groups can be finely modified, and specific active groups can be added by organic reaction, and then the pharmacological activity and pharmacokinetic properties of the compound can be optimized, such as improving bioavailability and enhancing targeting, etc., which can be used in the development of anti-tumor, neurological disease treatment drugs and other fields.
Second, it also has important value in the construction of heterocyclic compounds. Isoquinoline structural units are common in many natural products and bioactive molecules. Using this substance as a starting material, with the help of cyclization, condensation and other reactions, isoquinoline derivatives with rich structures can be derived, which expands the compound library for organic synthetic chemistry and helps organic synthetic chemists explore novel reaction paths and construct unique molecular structures. It is of great significance to enrich the variety of heterocyclic chemicals.
Third, in the field of materials science, appropriate modification and polymerization may endow it with special photoelectric properties. For example, the introduction of conjugated structural units has made it stand out in the fields of luminescent materials and semiconductor materials, injecting new vitality into the development of materials science. It is expected to be used in the preparation of organic Light Emitting Diodes, solar cells and other optoelectronic devices.

The synthesis method of tert-butyl 6-nitro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid has been known since ancient times. The method of synthesis of this compound can be found in ancient books and the wonderful skills of predecessors to meet the needs of today.
One method is also to start with the corresponding isoquinoline derivative. First take the isoquinoline parent and modify it with nitrification. For nitrification, it is necessary to select a good agent, such as the mixed acid of nitric acid and sulfuric acid, control its temperature and maintain its degree, so that the nitro group can fit into the sixth position. This step is also about success or failure. After nitrate is formed, dihydrogenation is carried out. Catalytic hydrogenation can be used to select palladium carbon as a catalyst to pass hydrogen into the system, adjust its pressure and control its temperature, so that the double bond can obtain hydrogen and form a dihydrogen state. Then, tert-butyl alcohol and carboxylic acid-derived reagents, such as acid chloride or acid anhydride, are esterified in the presence of an appropriate base. The base can be selected as triethylamine to promote the smooth reaction, resulting in 6-nitro-3,4-dihydro-1H-isoquinoline-2-carboxylate tert-butyl ester.
There are other methods. The isoquinoline skeleton can be constructed with suitable raw materials first. Such as o-amino acetophenone and the like, condensed with carbonyl compounds to form the embryonic form of isoquinoline. After the pre-process, first nitrification, followed by hydrogenation, and finally esterification. In this process, each step of the reaction requires detailed inspection of its conditions. The choice of solvent is related to the rate and selectivity of the reaction; the purity of the reagent also affects the purity of the product. And after each step of the reaction, it is necessary to make good use of separation and purification techniques, such as column chromatography, recrystallization, etc., to remove impurities and obtain pure products. In this way, a good product of 6-nitro-3,4-dihydro-1H-isoquinoline-2-tert-butyl carboxylate can be obtained to meet various needs.

6 - Nitro - 3,4 - dihydro - 1H - isoquinoline - 2 - carboxylic acid tert - butyl ester is an organic compound. Its physical and chemical properties are as follows:
Looking at its properties, it is often in a solid state. Due to the intermolecular force, the molecules are arranged in an orderly manner and form a solid structure to a certain extent. The determination of the melting point is of great significance for the identification and purification of this compound. The melting point varies according to the purity, usually within a specific temperature range. Pure compounds have relatively fixed melting points. If impurities are contained, the melting point decreases and the melting range widens.
In terms of solubility, this compound exhibits a certain solubility in organic solvents such as dichloromethane, chloroform, tetrahydrofuran, etc. Because the molecules of these organic solvents can form interactions such as van der Waals forces and hydrogen bonds with the compound molecules, which help the compound molecules to disperse in the solvent. However, the solubility in water is poor, and the hydrophobic part of the molecule accounts for a large proportion. The force between the water molecule and the compound molecule is difficult to match the force between the compound molecules, making it difficult to dissolve in water.
Stability is also an important property. Under normal conditions, the compound has certain stability. However, under extreme conditions such as strong acid, strong alkali or high temperature, the structure is easily damaged. Strong acids and bases can react with specific functional groups in molecules. For example, under alkaline conditions, ester groups may hydrolyze, causing molecular structure changes; high temperature can intensify the thermal motion of molecules, triggering reactions such as chemical bond breaking or rearrangement.
Its spectral properties are also unique. In infrared spectroscopy, different chemical bonds vibrate to produce specific absorption peaks. For example, carbonyl (C = O) has strong absorption peaks in a specific wavenumber range, which can be used to infer the existence of carbonyl groups in molecules; nitro (-NO) also has unique absorption peaks, providing key information for structure identification. In NMR spectroscopy, hydrogen and carbon atoms in different chemical environments exhibit specific chemical shifts, which can be used to analyze the connection mode and spatial position relationship of atoms in molecules. In conclusion, knowing the physical and chemical properties of this compound is crucial for its synthesis, separation, identification, and application.

I look at what you are asking, but ask 6 - Nitro - 3,4 - dihydro - 1H - isoquinoline - 2 - carboxylic acid tert - butyl ester in the market price geometry. However, the price of this product cannot be hidden in one word. The change in its price depends on many factors.
First, the purity is different, and the price is different. If the purity is extremely high, it is almost flawless, and the price is high; if it contains a little more impurities and the purity is at a loss, the price is slightly inferior.
Furthermore, the trend of supply and demand is also the key. If there are many people seeking this product in the market, but there are few suppliers, the price will rise; on the contrary, if the supply exceeds the demand, the price may drop.
In addition, the difficulty of preparation also affects its price. If the preparation method is cumbersome and the consumables are labor-intensive, the price will be high; if the preparation is easy and the cost is controllable, the price will be close to the people.
As far as I know, the price of this product in the market may vary from time to time, and it varies from market to market. It is roughly the price per gram. If it is low, it will be gold, and if it is high, it will be tens of gold or even more. However, this is only an approximate number. If you want to know the exact price, you should consult the chemical material supplier or check the quotation of the chemical product trading platform.