Chemical Formula | C23H28N2O2 |
Molar Mass | 364.48 g/mol |
Solubility In Water | Expected to be low (organic compound with non - polar groups) |
Solubility In Organic Solvents | Likely soluble in common organic solvents like chloroform, dichloromethane etc. |
Logp | Positive (due to non - polar butyl groups, lipophilic) |
What is the chemical structure of 2-butyl-6- (butylamino) -1H-benz [de] isoquinoline-1,3 (2H) -dione?
2 - butyl - 6- (butylamino) - 1H - benz [de] isoquinoline - 1,3 (2H) - dione, which is the name of an organic compound. According to the naming rules of organic chemistry, its chemical structure can be deduced as follows:
Its core structure is benzo [de] isoquinoline - 1,3 (2H) -dione, which is a fused ring structure, which is formed by fusing the benzene ring with the isoquinoline ring, and each has a carbonyl group (C = O) at the 1 and 3 positions to form a dione structure.
At the 2-position, there is a butyl group (-C H) connected, which is a linear alkyl group composed of four carbon atoms and nine hydrogen atoms.
At the 6-position, the linked group is a butylamino (-NH - C H), that is, one hydrogen atom in the amino group (-NH ²) is replaced by a butyl group.
In this way, the chemical structure of this compound is composed of a specific thick ring core structure, which is composed of a 2-position butyl group and a 6-position butyl amino group. Its structure contains many carbon-carbon bonds, carbon-nitrogen bonds, carbon-oxygen double bonds and other chemical bonds, and each atom is connected according to specific rules to form a unique spatial configuration. This structure endows the compound with specific physical and chemical properties, which may be of great significance in organic synthesis, medicinal chemistry and other fields.
What are the main physical properties of 2-butyl-6- (butylamino) -1H-benz [de] isoquinoline-1,3 (2H) -dione?
2-Butyl-6- (butylamino) -1H-benzo [de] isoquinoline-1,3 (2H) -dione, this is an organic compound. Its main physical properties can be viewed from the following aspects:
- ** Properties **: Generally speaking, this compound is mostly in the state of a crystalline solid. The crystalline morphology is regular, the texture is relatively solid, and the stability is quite good in the conventional environment. Due to the presence of rigid structural units such as benzoisoquinoline in its molecular structure, the intermolecular force is relatively strong, which promotes the orderly arrangement of molecules, and then forms crystals.
- ** Melting point **: The substance has a specific melting point. Due to the intermolecular force and the stability of the structure, a specific temperature is required to break the lattice structure and realize the transition from solid to liquid. This melting point is of great significance for the identification and purification of the compound. However, the specific melting point value will vary slightly due to the purity of the compound and the test conditions.
- ** Solubility **: In organic solvents, its solubility varies. Halogenated hydrocarbon organic solvents such as dichloromethane and chloroform have good solubility. Because the molecular structure of the compound contains certain hydrophobic groups, it is compatible with the non-polar or weak polar of halogenated hydrocarbons, and follows the principle of "similar miscibility". In water, its solubility is poor, and due to the overall hydrophobic properties of its molecules, it is difficult to form effective interactions with water molecules. < Br > - ** Density **: Density is also one of its important physical properties. Although the exact density value needs to be determined by precise experiments, roughly speaking, its density is similar to that of common organic compounds. The density is affected by the compactness of the molecular structure and the type of atoms. The benzoisoquinoline structure of this compound makes the molecule relatively tight, which affects the density.
- ** Stability **: Under conventional environmental conditions, the compound has certain stability. In case of extreme conditions such as high temperature, strong acid, and strong base, the molecular structure may change. Due to the enhanced activity of some chemical bonds in the molecule under specific conditions, it is easy to cause chemical reactions and cause structural changes.
What are the applications of 2-butyl-6- (butylamino) -1H-benz [de] isoquinoline-1,3 (2H) -dione?
2 - butyl - 6- (butylamino) - 1H - benz [de] isoquinoline - 1,3 (2H) - dione, an organic compound, has applications in medicine, materials and many other fields.
In the field of medicine, due to its unique chemical structure and characteristics, it may have potential biological activity. It may act on specific biological targets and exert therapeutic effects by regulating physiological processes in vivo. For example, by interacting with specific proteins, enzymes or receptors, it may interfere with cell signaling pathways and regulate gene expression, showing potential in the treatment of diseases such as inflammation and tumors. For example, in the study of certain inflammatory diseases, the compound may inhibit the release of inflammatory mediators and reduce the inflammatory response, just as ancient doctors used delicate drugs to reconcile the yin and yang of the human body and calm the disorders in the body.
In the field of materials, it is also useful. With its chemical stability, optical properties, etc., it may be used to prepare new functional materials. For example, in the preparation of optical materials, it may be possible to use its absorption and emission properties to prepare luminous materials, which can be applied to display technology, just like ancient craftsmen made exquisite utensils with unique materials, giving off a unique brilliance. In the field of polymer materials, it may be used as an additive to improve the mechanical properties and thermal stability of materials, which seems to give strong properties to materials, just like adding tough qualities to utensils.
In short, 2 - butyl - 6 - (butylamino) - 1H - benz [de] isoquinoline - 1,3 (2H) - dione is like a hidden treasure in the field of medicine and materials. After in-depth research and development, it may bring many benefits to human beings, just like the ancients constantly explored nature, discovered many wonderful things, and brought changes to life.
What are the preparation methods of 2-butyl-6- (butylamino) -1H-benz [de] isoquinoline-1,3 (2H) -dione?
To prepare 2-butyl-6- (butylamino) -1H-benzo [de] isoquinoline-1,3 (2H) -dione, there are various methods. Ancient production methods are often based on their chemical properties and structural characteristics.
First, it can start from related aromatic compounds. Select suitable benzene ring derivatives, and gradually build the skeleton of isoquinoline through ingenious reactions. First, butyl and butylamino are introduced by nucleophilic substitution. In a specific reaction vessel, put aromatic substrates, butylating reagents, and alkali substances, and control temperature and pressure to make their nucleophilic substitution proceed in an orderly manner. Such as halogenated aromatics and butyl lithium or butyl halide, under the protection of inert gas, at low temperature or room temperature, through fine regulation, so that butyl can be precisely connected.
Then, the part of isoquinoline-1,3 (2H) -dione is constructed. This purpose is often achieved by cyclization reaction. Select an appropriate carbonyl compound and nitrogen-containing reagent, and through a series of reactions of condensation and cyclization, close the loop to form isoquinoline dione structure. Carboxylic acid derivatives and amines are first condensed under the catalysis of acids or bases to obtain amides, and then cyclized within the molecule to form this key structure.
Second, there are also natural products as starting materials. Find natural compounds containing similar structural fragments, and chemically modify and transform them. Natural compounds have unique structures and activities, which can avoid complicated synthesis steps. After hydrolysis, oxidation, reduction and other reactions, the groups are modified one by one to finally obtain the target product.
Third, the method of organometallic catalysis is also quite effective. Metal complexes are used as catalysts to promote the formation of carbon-carbon and carbon-nitrogen bonds. Metal catalysts such as palladium and nickel exhibit high efficiency and high selectivity when building complex molecular structures. Through ligand design and optimization of reaction conditions, the catalytic reaction can accurately synthesize 2-butyl-6- (butylamino) -1H-benzo [de] isoquinoline-1,3 (2H) -dione according to the expected path.
Various production methods have their own advantages and disadvantages, and need to be carefully selected according to factors such as raw material availability, cost, and reaction difficulty.
How safe is 2-butyl-6- (butylamino) -1H-benz [de] isoquinoline-1,3 (2H) -dione?
There is now a product named 2-butyl-6- (butylamino) -1H-benz [de] isoquinoline-1,3 (2H) -dione. The study of the safety of this product involves many parties and is a matter of great importance.
Looking at its chemical structure, the structure of this compound is exquisite and complex. However, the chemical structure is often closely related to safety. The complex structure may suggest that its metabolic pathway in the body is also complex and changeable. Or in the process of metabolism, it generates intermediates with special activities, and the impact of these products on biological cells and tissues cannot be ignored.
When it comes to toxicity, if it is observed experimentally, it may need to consider multiple aspects. Oral ingestion, what is the effect of it on the digestive system? Will it irritate the gastrointestinal mucosa, causing nausea, vomiting, and abdominal pain? If it is exposed to the skin, will it cause allergic reactions, such as redness, swelling, and itching? And if it is inhaled through the respiratory tract, does it damage the respiratory system, and will it cause breathing difficulties, coughing, and other diseases?
In the environment, the stability of this substance is also critical. If its stability is poor and it is easy to decompose and transform, what impact will the generated substance have on environmental organisms? Will it be enriched by organisms in soil and water, passing through the food chain, endangering the ecological balance?
Also consider its use scenarios. If it is used in industrial production, what is the risk of workers being exposed to this substance during the production process? Are the protective measures appropriate? If it is used in pharmaceutical research and development, the trade-off between its therapeutic effect and potential toxic and side effects needs to be more careful.
In summary, the safety of Ximing 2 - butyl - 6 - (butylamino) - 1H - benz [de] isoquinoline - 1,3 (2H) - dione needs to be investigated by many experiments, and a more accurate conclusion can be obtained from the chemical properties, toxicity, environmental impact and use scenarios.