Chemical Formula | C9H6BrN |
Molar Mass | 208.054 g/mol |
Appearance | Solid (usually white to off - white) |
Melting Point | N/A (values may vary by source, typically in a certain range like 80 - 85°C) |
Boiling Point | N/A (but likely has a characteristic boiling point under specific conditions) |
Solubility In Water | Low solubility in water |
Solubility In Organic Solvents | Soluble in some common organic solvents like dichloromethane, chloroform |
Pka | N/A (relevant for acid - base behavior in solution) |
Density | N/A (reported values exist but vary depending on purity and measurement conditions) |
Flash Point | N/A (information related to fire - hazard potential) |
What are the physical properties of 5-Bromoisoquinoline?
5-Bromoisoquinoline is one of the organic compounds. Its physical properties are quite impressive.
Looking at its morphology, under room temperature and pressure, 5-bromoisoquinoline is mostly in a solid state. This is caused by the intermolecular force, which makes the molecules arranged in an orderly manner and maintains the solid-state structure.
As for the color, it often appears white to light yellow. This color feature may be related to the electron transition in its molecular structure. The specific structure causes the absorption and reflection of light to be different, thus presenting such colors.
The melting point is about 68-72 ° C. The melting point is the critical temperature at which a substance changes from a solid state to a liquid state. This temperature range implies that the intensity of the intermolecular force of 5-bromoisoquinoline is moderate, and the vibration of the molecules intensifies when heated. At this temperature range, it is enough to overcome the intermolecular binding and realize the physical state transition.
Its boiling point is about 311 ° C. The boiling point is the temperature when the liquid turns into a gas. A higher boiling point indicates that the intermolecular force of the substance is strong, and more energy is required to make the molecules break free from each other and escape into a gaseous state.
In terms of solubility, 5-bromoisoquinoline is difficult to dissolve in water. This is because water is a polar solvent, and the molecular structure of 5-bromoisoquinoline is relatively non-polar. According to the principle of "similar miscibility", the solubility is poor if the polarity difference is large. However, it is soluble in common organic solvents, such as ethanol, ether, etc., because the polarity of organic solvents is similar to that of 5-bromoisoquinoline, and the intermolecular forces can interact to improve dissolution.
Density is also one of its important physical properties. Although the exact value needs to be determined according to specific conditions, its density may be different from that of water. This is closely related to the molecular weight and the way of molecular accumulation, which affects its properties such as ups and downs in different media. In summary, the physical properties of 5-bromoisoquinoline are closely related to its molecular structure and intermolecular interactions.
What are the chemical properties of 5-Bromoisoquinoline?
5-Bromo isoquinoline is also an organic compound. It has unique chemical properties and is hereby referred to by Jun Chen.
First of all, its structural properties are endowed with a certain aromaticity and stability by the isoquinoline ring system. The introduction of 5-bromine atoms significantly modifies its electron cloud distribution, which in turn affects its reactivity.
When it comes to chemical activity, this compound can be involved in nucleophilic substitution reactions. Edge bromine atoms have good departure properties and are easily replaced by various nucleophilic reagents. Nucleophilic groups such as hydroxyl and amino groups can replace bromine atoms to form corresponding derivatives. This is extremely important in the field of organic synthesis, and can be used to construct a variety of compound structures.
In addition, 5-bromoisoquinoline can also participate in the coupling reaction of metal catalysis. Under the action of palladium, nickel and other metal catalysts, it can be coupled with carbon-containing nucleophiles, such as borates, halogenated aromatics, etc., to expand its carbon-carbon bond. This reaction is an effective means to construct complex molecular structures in medicinal chemistry and materials science.
Because of its aromatic ring, 5-bromoisoquinoline can undergo electrophilic substitution reaction. However, due to the influence of the electronic effect of bromine atom and isoquinoline ring, the electrophilic substitution check point is preferred, and the reaction conditions are slightly different from those of ordinary aromatics. < Br >
And because of its nitrogen heterocycle, 5-bromoisoquinoline can exhibit weak alkalinity and can form salts with acids. This property can be used in the process of pharmaceutical preparations, or can be used to improve its solubility and stability.
In summary, 5-bromoisoquinoline has important application prospects in many fields such as organic synthesis, drug research and development, and materials science due to its unique chemical properties.
What is the common synthesis method of 5-Bromoisoquinoline?
5-Bromoisoquinoline is also an organic compound. The common synthesis methods are about the following.
First, isoquinoline is used as the starting material and obtained by bromination reaction. Isoquinoline is aromatic and can work with brominating reagents under appropriate reaction conditions. Commonly used brominating reagents, such as bromine (Br ²), can react with isoquinoline in the presence of a catalyst. Usually iron powder or iron tribromide is used as a catalyst. In a suitable solvent, such as dichloromethane, bromine atoms can selectively replace hydrogen atoms at the 5 position of isoquinoline under low or normal temperature conditions to generate 5-bromoisoquinoline. The key to this reaction lies in the control of the amount of catalyst and the reaction temperature to prevent over-bromination and formation of polybrominated products.
Second, using suitable aromatic derivatives as raw materials, isoquinoline rings are constructed through multi-step reactions and bromine atoms are introduced. For example, using o-halobenzaldehyde and suitable amine compounds as starting materials, Schiff base is first formed through condensation reaction, and then isoquinoline rings are formed through cyclization and aromatization. If the initial o-halobenzaldehyde is o-bromobenzaldehyde, bromine atoms can be directly introduced at the 5th position during the construction of the isoquinoline ring. Although there are many steps in this method, the control of the reaction conditions is required to be precise, and each step needs to be carefully operated to improve the yield and selectivity.
Third, the coupling reaction catalyzed by transition metals is used to synthesize. The coupling reaction is carried out in a suitable base and solvent system in the presence of a halogen containing isoquinoline structure (such as isoquinoline-5-halide) and a brominating reagent in the presence of a transition metal catalyst (such as palladium catalyst) and a ligand. The palladium catalyst can activate the carbon-halide bond of the halogen, promote the reaction with the bromine source, and thereby introduce bromine atoms at the 5 position of isoquinoline. This method requires the selection of suitable palladium catalysts, ligands and reaction conditions to achieve efficient coupling reactions.
Where is 5-Bromoisoquinoline used?
5-Bromoisoquinoline is useful in various fields such as medicine and materials science.
In the field of medicine, this compound is often a key intermediate for the creation of new drugs. Because of its unique structure, potential biological activity, it can interact with specific targets in organisms. For example, when developing anti-tumor drugs, with its structural modification, molecules with highly selective inhibitory effect on tumor cells can be designed. Or in the development of drugs for neurological diseases, 5-bromoisoquinoline is chemically modified to affect neurotransmitter transmission to relieve related diseases.
In the field of materials science, 5-bromoisoquinoline has also emerged. In the preparation of organic optoelectronic materials, due to its special electronic structure, the optoelectronic properties of materials can be optimized. For example, adding it to the organic Light Emitting Diode (OLED) material system may improve its luminous efficiency and stability, and make the image quality of the display device better. In terms of sensor materials, 5-bromoisoquinoline can be connected to sensing molecules through specific chemical reactions, and its identification characteristics for specific substances can be used to construct highly sensitive and highly selective chemical sensors to detect environmental pollutants or biomarkers.
In addition, in the field of organic synthetic chemistry, 5-bromoisoquinoline is an important raw material and intermediate, providing the possibility for the construction of complex organic molecular structures. Chemists can take advantage of various chemical reactions, such as coupling reactions, nucleophilic substitution reactions, etc., to derive organic compounds with diverse structures and rich functions, which contribute to the development of organic synthetic chemistry.
What is the market price of 5-Bromoisoquinoline?
The market price of 5-bromoisoquinoline is difficult to determine. The market is volatile, and the price changes with the wind, subject to many reasons.
First, the situation of supply and demand is the main reason. If the world's demand for 5-bromoisoquinoline increases greatly, such as the pharmaceutical and chemical industries are thirsty for it, and it is used to synthesize new drugs or special materials, but the producers are difficult to supply in time, its price will rise. On the contrary, if there is a shortage of demand, the supply will exceed the demand, and the price will decline.
Second, the manufacturing cost also affects the price. The price of raw materials, the simplicity of the preparation process, and the amount of energy consumption are all related to costs. If the raw materials are rare, or the preparation requires exquisite and complicated methods, the cost is laborious, the cost is high, and the price is not cheap.
Third, the current situation, the regulations of the government, the convenience of transportation, etc., also have an impact. If the origin is chaotic, or the government tightens the order, increases the production restrictions, or the transportation road is blocked, and the cost is time-consuming, the price can change.
Looking at the past market conditions, the price of 5-bromoisoquinoline fluctuates frequently. At some times, due to the imbalance between supply and demand, the price may rise sharply; at other times, due to the expansion of production capacity and the slowdown in demand, the price also decreases significantly.
To know the current exact market price, it is advisable to consult chemical raw material suppliers, chemical reagent companies, or visit relevant professional trading platforms and market information agencies to obtain near-real-time price information.