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What is the chemical structure of 3-Isoquinolinecarboxamide, N- (1,1-dimethylethyl) -1,2,3,4-tetrahydro-, (3S) -?
This is an organic compound with the name (3S) -N- (1,1-dimethylethyl) -1,2,3,4-tetrahydroisoquinoline-3-formamide. Its chemical structure can be resolved according to the following steps:
1. ** Core skeleton **: Based on isoquinoline. Isoquinoline is a nitrogen-heterocyclic aromatic hydrocarbon with a benzopyridine structure. In this compound, the 1,2,3,4-position of the isoquinoline ring is in the hydrogenated state, that is, hydrogenation at four positions, resulting in a change in the unsaturation of the ring, which is partially transformed from an aromatic ring to a hydrogenated heterocyclic ring.
2. ** Substituent **: There is a formamide group attached to the 3-position, that is, a -CONH-group. The nitrogen atom of this formamide group is in turn connected to tert-butyl (1,1-dimethylethyl), which is a group with special steric hindrance effect.
3. ** Chiral Center **: The name of the compound contains (3S), indicating that the 3-position carbon atom is a chiral center, and its three-dimensional configuration is S-type. This chiral center makes the compound exist in enantiomers, which are different in different configurations or in biological activity and physicochemical properties.
In summary, the chemical structure of (3S) -N- (1,1-dimethylethyl) -1,2,3,4-tetrahydroisoquinoline-3-formamide is composed of hydrogenated isoquinoline ring, 3-formamide group and connected tert-butyl group, and 3-position chiral center of specific configuration. This unique structure may endow the compound with specific physical, chemical and biological activities, and may be of research value in the fields of organic synthesis, medicinal chemistry, etc.
What are the physical properties of 3-Isoquinolinecarboxamide, N- (1,1-dimethylethyl) -1,2,3,4-tetrahydro-, (3S) -?
3-Isoquinolinecarboxamide, N- (1,1-dimethylethyl) -1,2,3,4-tetrahydro-, (3S) - is an organic compound. Looking at its physical properties, the compound is in the state of a solid state under normal temperature and pressure. Its melting point and boiling point are often the key to distinguishing the characteristics of the compound. It is rare to get the exact melting point and boiling point values, but it can be inferred that its melting point may fall within a certain temperature range due to intermolecular forces.
Its solubility is also an important physical property. In organic solvents, or show different dissolution conditions. Or in some organic solvents, such as ethanol, acetone, etc., it has a certain solubility. Due to the principle of similar compatibility, its molecular structure can form a suitable interaction with the molecules of organic solvents. In water, due to the different degree of matching between the polarity of the molecule and the polarity of the water molecule, it may not dissolve well or be slightly soluble.
Furthermore, its density is also one end of the physical properties. Although the value of its density is not determined, according to the characteristics of similar structural compounds, its density may be equivalent to that of common organic compounds, falling within a certain range. The color state of this compound may be white or off-white solid, because many organic compounds with similar structures are mostly in this color state.
In addition, its volatility or low, due to its relatively stable molecular structure and strong intermolecular forces, it is not easy to evaporate at room temperature. And its odor, if there is no special functional group, or the odor is weak, or it is almost odorless. Overall, the physical properties of this compound are of great significance in the research and application of organic chemistry, but the exact value still needs to be determined experimentally and accurately.
What are the main uses of 3-Isoquinolinecarboxamide, N- (1,1-dimethylethyl) -1,2,3,4-tetrahydro-, (3S) -?
3-Isoquinolinecarboxamide, N- (1,1 -dimethylethyl) -1,2,3,4 -tetrahydro-, (3S) - this substance is very important for modern use. It has a wide range of uses, in the field of medicine, or can be used to develop new drugs. Due to its unique chemical structure, it may act on specific physiological mechanisms in the human body to treat related diseases, such as regulating specific signaling pathways in the body, or targeting biological targets involved in certain diseases, helping to relieve diseases and promote recovery.
In scientific research, this substance is also an important research object. By studying their properties and reactions, researchers can enhance their understanding of many reaction mechanisms in the field of organic chemistry, and provide ideas and reference for the synthesis of more complex and special-function organic compounds. It may be used as a key intermediate to derive various compounds with unique functions through a series of chemical reactions, promoting the development of organic synthetic chemistry.
In the field of materials science, it may also have potential uses. Appropriate modification and transformation may endow materials with specific properties, such as improving material stability, solubility, etc., contributing to the research and development of new materials and contributing to the progress and innovation of materials science. In short, 3-Isoquinolinecarboxamide, N- (1,1 -dimethylethyl) -1,2,3,4 -tetrahydro-, (3S) - has important significance and potential application value in many fields, which is worthy of in-depth exploration and development.
What is the preparation method of 3-Isoquinolinecarboxamide, N- (1,1-dimethylethyl) -1,2,3,4-tetrahydro-, (3S) -?
To prepare 3-isoquinoline formamide, N- (1,1-dimethylethyl) -1,2,3,4-tetrahydro-, (3S) -, the method is as follows:
First, all the raw materials need to be prepared. The required materials, such as the starting reactant containing isoquinoline structure, and the reagents that can introduce N - (1,1-dimethylethyl) groups, etc., should be refined and prepared, and do not contain impurities, so as not to disrupt the reaction sequence.
In a clean reactor, add the raw materials according to the precise quantity ratio. It is often dissolved in a suitable organic solvent, and the selected solvent must be in harmony with the reactants without additional changes. Then, an appropriate amount of catalyst is added, which can promote the reaction to go faster and reduce the required energy. The amount of catalyst must be carefully considered. If it is too much, it may cause side reactions to occur, and if it is too little, the reaction will be slow and difficult to progress.
The temperature of the reaction is very important. When controlled in a suitable area, it depends on the nature of the reaction. The method of heating up can be achieved by using the genera of water bath and oil bath to ensure uniform heat transfer without the risk of local overheating. When reacting, it should also be stirred at a constant speed with a stirrer to fully blend the reactants and make the reaction more uniform.
After the reaction is completed, the product may contain unreacted raw materials, by-products and catalyst residues. Therefore, separation and purification are required. Filtration can be used first to remove insoluble impurities. Then distillation is used to separate the solvent and low boiling impurities according to the different boiling points of each substance. Then column chromatography is used to select the appropriate stationary phase and mobile phase to separate the product from the remaining impurities one by one to obtain pure 3-isoquinoline formamide, N- (1,1-dimethylethyl) -1,2,3,4-tetrahydro-, (3S) -. The whole process requires fine operation, and each step is related to the purity and quantity of the product, which must not be neglected.
3-Isoquinolinecarboxamide, N- (1,1-dimethylethyl) -1,2,3,4-tetrahydro-, (3S) - What are the relevant safety precautions?
3-Isoquinolinecarboxamide, N- (1,1 -dimethylethyl) -1,2,3,4 -tetrahydro-, (3S) - is a specific organic compound. The relevant safety precautions of this compound are quite important and need to be paid attention to in detail.
Its chemical properties are unique, and the first concern during operation is its toxicity. Although there is no conclusive conclusion that its toxicity is strong, it still needs to be treated with caution. Appropriate protective clothing, such as laboratory clothes, gloves, etc. should be worn during operation to avoid skin contact. If you accidentally touch it, you need to rinse it with plenty of water immediately and seek medical treatment according to the actual situation.
Furthermore, it is related to its stability. This compound may change under certain conditions. In case of high temperature, strong light, or mixing with certain chemicals, it may cause it to react. Therefore, when storing, it should be placed in a cool, dry and well-ventilated place, away from fire sources, heat sources and incompatible substances.
In addition, when using this compound, the ventilation of the experimental environment is also critical. If used in a closed space in large quantities, the volatile gas or the concentration in the air will increase, causing damage to the human respiratory tract. Therefore, it should be ensured that the experimental site has good ventilation equipment, such as a fume hood, to ensure the safety of the operating environment.
In addition, the waste treatment of this compound should not be taken lightly. It needs to be properly collected, stored and disposed of in accordance with relevant laws and regulations, and must not be discarded at will to avoid pollution to the environment.
In general, the operation 3-Isoquinolinecarboxamide, N- (1,1 -dimethylethyl) -1,2,3,4 -tetrahydro-, (3S) -, self-protection, storage, use to waste disposal and other links need to be strictly treated to ensure the safety of personnel and the environment.