As a leading (S)-ethyl 1-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxylate supplier, we deliver high-quality products across diverse grades to meet evolving needs, empowering global customers with safe, efficient, and compliant chemical solutions.
What is the chemical structure of (S) -ethyl 1-phenyl-3, 4-dihydroisoquinoline-2 (1H) -carboxylate?
The chemical structure of (S) -ethyl-1-phenyl-3,4-dihydroisoquinoline-2 (1H) -carboxylic acid esters is an exquisite existence in the field of organic chemistry. Looking at its structure, it is based on the isoquinoline parent nucleus, which is formed by fusing a benzene ring with a nitrogen-containing hexamembered heterocycle, which is unique.
In the second position of the isoquinoline parent nucleus, there is a monocarboxylic acid ethyl ester group, which endows the compound with specific chemical activity and physical properties. In the ethyl ester group, the carbon-oxygen double bond of the carbonyl group has a special electron cloud density distribution, which easily initiates reactions such as nucleophilic addition; while the existence of ethoxy group affects the steric resistance and solubility of the molecule. The conjugation system of
1 position connecting a phenyl group and a benzene ring greatly expands the electron delocalization range of the molecule, which has a significant impact on the stability and spectral properties of the molecule. Its large π bond structure not only makes the molecule more stable, but also changes the electron transition energy level of the molecule due to the action of π-π conjugation, which in turn affects its absorption and emission spectra.
3,4 position is a dihydrogen structure, that is, the double bond of this two position is hydrogenated to form a single bond. This structural change decreases the degree of unsaturation of the molecule, weakens the rigidity, and enhances the flexibility. The variability of its spatial conformation increases, which has far-reaching significance for the interaction of molecules with biological targets, or the activity and selectivity as intermediates in chemical reactions.
Such a structure endows (S) -ethyl-1-phenyl-3,4-dihydroisoquinoline-2 (1H) -carboxylic acid esters with rich chemical properties and potential application value, which are worthy of in-depth investigation in many fields such as organic synthesis and drug development.
What are the main uses of (S) -ethyl 1-phenyl-3, 4-dihydroisoquinoline-2 (1H) -carboxylate?
(S) -ethyl-1-phenyl-3,4-dihydroisoquinoline-2 (1H) -carboxylic acid ester, this is an organic compound with a wide range of uses.
In the field of medicinal chemistry, it may be a key pharmaceutical intermediate. Gein isoquinoline compounds have various biological activities, such as antibacterial, anti-inflammatory, anti-tumor, etc. With this compound as a starting material, a series of chemical transformations can be used to construct drug molecules with more complex structures and specific pharmacological activities. For example, when developing new anti-cancer drugs, by modifying their structures, drugs with highly selective inhibitory effects on cancer cells may be obtained.
In the field of organic synthetic chemistry, it can be used as an important synthetic building block. Due to its unique molecular structure, it can participate in many organic reactions, such as nucleophilic substitution, electrophilic addition, etc. Chemists can use it to construct organic materials with special structures and functions by ingeniously designing reaction routes, such as new photoelectric materials. For example, by reacting with specific reagents, a conjugated structure is introduced, which alters the optical and electrical properties of the material.
In addition, in the field of total synthesis of natural products, if the structure of some natural products contains fragments similar to (S) -ethyl-1-phenyl-3,4-dihydroisoquinoline-2 (1H) -carboxylic acid esters, this compound can be used as a key intermediate for the total synthesis of natural products, helping to further study the biological activity and mechanism of action of natural products. In short, this compound has important application value in many chemically related fields, providing a key foundation for new drug development and material innovation.
What are the synthesis methods of (S) -ethyl 1-phenyl-3, 4-dihydroisoquinoline-2 (1H) -carboxylate?
(S) -ethyl 1 -phenyl-3,4 -dihydroisoquinoline -2 (1 H) -carboxylate is an organic compound, and its synthesis method is very critical.
To prepare this substance, phenethylamine can be started. First, the Michael addition reaction occurs between phenethylamine and ethyl acrylate. In this reaction, the amino group of phenethylamine is nucleophilic, and the carbon-carbon double bond of ethyl acrylate is electrophilic. The two interact to obtain an intermediate. This step of the reaction needs to be carried out in an appropriate temperature and solvent. If ethanol is used as a solvent, under the condition of heating and reflux, the reaction can occur smoothly.
The obtained intermediate is then cyclized within the molecule. Under the action of acid catalysis, the amino group in the molecule condenses with the ester group to form a tetrahydroisoquinoline ring system, and then the basic skeleton of the target compound is constructed. This step requires controlling the amount of acid and the reaction time to avoid overreaction or side reactions.
Another synthesis path can start from 1-phenylisoquinoline. The double bond of 1-phenylisoquinoline is selectively reduced to obtain 3,4-dihydro-1-phenylisoquinoline. This reduction reaction can be carried out at low temperature with a suitable reducing agent, such as sodium borohydride-aluminum trichloride system, to ensure the selectivity of the reduction reaction. Then it is esterified. In the presence of ethanol and concentrated sulfuric acid, 3,4-dihydro-1-phenylisoquinoline is esterified with ethanol, and finally (S) -ethyl 1-phenyl-3,4 -dihydroisoquinoline -2 (1 H) -carboxylate is obtained.
During the synthesis process, each step of the reaction requires precise control of the reaction conditions, such as temperature, pH, ratio of reactants, etc., and the product needs to be carefully separated and purified to obtain a high-purity target product.
What are the physical properties of (S) -ethyl 1-phenyl-3, 4-dihydroisoquinoline-2 (1H) -carboxylate?
(S) -ethyl-1-phenyl-3,4-dihydroisoquinoline-2 (1 H) -carboxylic acid esters are organic compounds, and their physical properties are worth exploring.
This compound has a specific melting point, which is the temperature at which the substance changes from solid to liquid. For (S) -ethyl-1-phenyl-3,4-dihydroisoquinoline-2 (1 H) -carboxylic acid esters, the melting point may be an exact value. Based on this, the purity of the purified product is often fixed and sharp. The boiling point of
is also a key physical property, that is, the temperature at which the substance changes from liquid to gaseous state under a specific pressure. Knowing its boiling point is of great significance in the separation and purification process such as distillation. By means of the difference in boiling point, the compound can be separated from the mixture.
Solubility is equally important, and it varies in different solvents. In polar solvents such as water, or because its structure contains non-polar parts such as hydrophobic phenyl groups, the solubility may be limited; in non-polar or weakly polar organic solvents such as dichloromethane and ether, the solubility may be relatively high. This property is conducive to selecting suitable solvents for recrystallization and purification, or for the construction of liquid-phase reaction systems.
In appearance, (S) -ethyl-1-phenyl-3,4-dihydroisoquinoline-2 (1 H) -carboxylic acid ester or white to light yellow solid powder, this appearance characteristics help to identify the initial, and the physical form of the powder particle size or affect its fluidity, dispersion, etc., which is very important for preparation, processing and other applications.
The density is the mass of the substance per unit volume. The density of (S) -ethyl-1-phenyl-3,4-dihydroisoquinoline-2 (1 H) -carboxylic acid esters is specific, and it plays a guiding role in the operation of volume and mass conversion, or the distribution of the substance in the mixed system.
In summary, the melting point, boiling point, solubility, appearance and density of (S) -ethyl-1-phenyl-3,4-dihydroisoquinoline-2 (1 H) -carboxylic acid esters are of great value for their research, separation, purification and application.
What is the market price of (S) -ethyl 1-phenyl-3, 4-dihydroisoquinoline-2 (1H) -carboxylate?
Now there are (S) -ethyl-1-phenyl-3,4-dihydroisoquinoline-2 (1H) -carboxylic acid esters in the market, what is the price? This is a key intermediate in fine organic synthesis, but its market value is studied by many parties.
In a place where chemical raw materials are traded, their price often depends on the purity and quantity of production. If the purity is excellent, it is close to pharmaceutical grade, and the mass production is considerable, the price may be slightly cheaper. However, if the purity is slightly lower, it is only suitable for general chemical use, and the price may be slightly cheaper.
Looking at the traces of market transactions in the past, the price also fluctuates at different times. When raw materials are abundant, or due to oversupply, the price will decline; if raw materials are scarce, demand will exceed supply, and the price will rise.
Furthermore, regional differences also affect their prices. In places with smooth transportation and prosperous chemical industries, the price may be lower than elsewhere due to the convenience of logistics and the benefits of industrial agglomeration.
To sum up, in order to know the exact price of (S) -ethyl-1-phenyl-3,4-dihydroisoquinoline-2 (1H) -carboxylic acid esters, it is necessary to carefully investigate the current market supply and demand, purity specifications, and consult various chemical raw material suppliers, in order to obtain accurate numbers, it is difficult to say its price.
