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What is the chemical structure of N- (5-chloro-2-methoxyphenyl) -3,4-dihydroisoquinoline-2 (1H) -carbothioamide?
N- (5-chloro-2-methoxyphenyl) -3,4-dihydroisoquinoline-2 (1H) -carbothiamide, which is an organic compound. Its chemical structure can be analyzed as follows:
The main structure is 3,4-dihydroisoquinoline, which is a nitrogen-containing heterocyclic aromatic hydrocarbon and forms 3,4-dihydroisoquinoline after hydrogenation at the 3rd and 4th positions. The 2 (1H) position of this ring is connected with a carbothiamide group, and the carbothiamide is -CSNH -2. This part contains sulfur and has specific reactivity. < Br >
On the nitrogen atom, there is a 5-chloro-2-methoxy phenyl group attached. The benzene is based on the methoxy-OCH at the 2 position and the chlorine atom at the 5 position - Cl. The methoxy group is the power supply group, which can affect the electron cloud density of the benzene ring, and the chlorine atom absorbs electrons. The position and properties of the two have important effects on the electron distribution, spatial structure and reactivity of the whole molecule.
The structure of this compound, the interaction of various parts determines its physical and chemical properties. It may have potential uses in organic synthesis, medicinal chemistry and other fields. Because of its unique structure, it may be endowed with special biological activities or reaction characteristics.
What are the physical properties of N- (5-chloro-2-methoxyphenyl) -3,4-dihydroisoquinoline-2 (1H) -carbothioamide
N- (5-chloro-2-methoxyphenyl) -3,4-dihydroisoquinoline-2 (1H) -carbothiamide is an organic compound. Its physical properties are as follows:
This substance is mostly in a solid state under normal conditions, but the specific state will also vary depending on the temperature and pressure of the surrounding environment. Melting point is a key indicator for measuring its transition from solid to liquid state. However, the specific melting point value needs to be consulted before special chemical data can be known.
In terms of solubility, it behaves differently in different solvents. In organic solvents, such as ethanol and acetone, or exhibit some solubility. Due to the principle of similarity and miscibility, the structural properties of the compound are in agreement with organic solvents. In water, its solubility may be poor, because water is a polar solvent, and the polarity of this compound is relatively weak, and the interaction with water is not strong.
As for density, this is the mass of the substance per unit volume, but the exact density data needs to be determined by precise experiments. Density is a key consideration in the separation, purification, and many practical application scenarios of substances.
In addition, its appearance is also one of the important physical properties. Usually white to pale yellow powder or crystalline solid, the specific color and crystal morphology may vary due to factors such as synthesis method and impurity content. A careful observation of its appearance can help to preliminarily judge the purity and quality of the compound.
What are the main uses of N- (5-chloro-2-methoxyphenyl) -3,4-dihydroisoquinoline-2 (1H) -carbothioamide
N- (5-chloro-2-methoxyphenyl) -3,4-dihydroisoquinoline-2 (1H) -carbothiamide is an organic compound. Its uses are more common in the field of medicinal chemistry and play an important role in the process of drug development.
The characteristics and effectiveness of compounds are the key to the development of Guanfu Pharmaceutical. N- (5-chloro-2-methoxyphenyl) -3,4-dihydroisoquinoline-2 (1H) -carbothiamide has specific biological activities due to its unique chemical structure. Or it can be combined with specific targets in vivo to regulate the physiological and biochemical processes in vivo to achieve the purpose of treating diseases.
In the field of anti-tumor drug development, such compounds may affect the proliferation and apoptosis of tumor cells. Its unique structure may act precisely on specific molecular targets of tumor cells, inhibit the abnormal growth of tumor cells, and then provide new opportunities and directions for the creation of anti-tumor drugs.
In the development of drugs for neurological diseases, it may also show potential value. It may regulate the release of neurotransmitters and the excitability of nerve cells, etc., providing novel strategies and material basis for the treatment of neurodegenerative diseases such as Parkinson's disease and Alzheimer's disease.
Furthermore, in the field of antibacterial drug research and development, it may have certain antibacterial activity, which can inhibit or kill some specific pathogens, and contribute to the development of new antibacterial drugs.
However, it needs to be understood that the actual medicinal effect of the compound needs to go through many rigorous experimental verifications, such as cell experiments, animal experiments and clinical trials, before its safety and effectiveness can be determined, and then it can be truly applied to clinical treatment.
What are the synthesis methods of N- (5-chloro-2-methoxyphenyl) -3,4-dihydroisoquinoline-2 (1H) -carbothioamide
To prepare N- (5-chloro-2-methoxyphenyl) -3,4-dihydroisoquinoline-2 (1H) -methylthiamide, there are many methods, which can be carried out according to the ancient method.
The first is 5-chloro-2-methoxyaniline, which is co-reacted with a suitable acylating agent to acylate the amino group to obtain the corresponding amide. This step requires controlling the reaction temperature and time to promote the reaction to be complete and have less side effects.
Times, with the prepared amide as the group, through cyclization, the structure of 3,4-dihydroisoquinoline is formed. The method of cyclization can be catalyzed by acid or assisted by a specific catalyst to form a ring in the molecule and build the key structure. In this step, the reaction conditions must be carefully selected, and the cyclization is smooth and the product purity is good.
In addition, methylthio is introduced at the 2 positions of 3,4-dihydroisoquinoline-2 (1H) -methylthiamide. Thioreagents can be selected and reacted with intermediates to obtain products containing methylthio groups. This process requires attention to the amount of reagents and the reaction environment to make the substitution accurate.
Or there are other methods, such as different starting materials and multi-step conversion, the target product can also be reached. Every step of the synthesis process was heavy. The purity of the raw materials, the control of the reaction, and the cleverness of separation and purification were all related to the quality and quantity of the product. Although the ancient method was complicated, it could be synthesized by following the principles and operating cautiously.
How safe is N- (5-chloro-2-methoxyphenyl) -3,4-dihydroisoquinoline-2 (1H) -carbothioamide
There is a substance called N- (5-chloro-2-methoxyphenyl) -3,4-dihydroisoquinoline-2 (1H) -carbothiamide. The safety of this substance is related to human life and cannot be ignored.
Considering common sense, the safety of chemical substances depends on many ends. First, looking at its chemical structure, the combination of 5-chloro-2-methoxyphenyl with dihydroisoquinoline and carbothiamide may cause special chemical activity. The introduction of chlorine atoms can increase the electrophilicity of molecules, react with biological macromolecules such as proteins and nucleic acids in organisms, or induce toxicity. The presence of methoxy groups may also affect the lipid solubility and metabolic pathways of molecules.
Second, when it comes to toxicology, if this substance enters the body, or is absorbed through the digestive tract, respiratory tract or skin. In the body, it may interfere with the normal physiological functions of cells, such as affecting the activity of enzymes, causing metabolic disorders; or destroying the integrity of cell membranes, causing cell damage. And its carbothiamide group may have special biological activities, or stimulate the body's immune system, causing adverse reactions such as allergies.
Third, environmental effects cannot be ignored. If this substance enters the environment, or is transmitted through water, soil, or air, it may affect the growth and reproduction of aquatic organisms, or affect the ecological balance of soil microbial communities.
However, to determine its safety, it is not enough to speculate based on the structure, and rigorous experiments are required. Animal experiments are used to observe its acute, subacute, and chronic toxicity, and half lethal dose and other indicators; cell experiments are used to explore its mechanism of action on different cell lines. And in practical application, it should also consider its interaction with other substances, as well as the concentration and frequency of use. In this way, the safety of N- (5-chloro-2-methoxyphenyl) -3,4-dihydroisoquinoline-2 (1H) -carbothiamide can be fully known.