Chemical Formula | C27H32FN3O |
Molecular Weight | 433.565 g/mol |
Iupac Name | 1-(4-fluorobenzyl)-N-{1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}-1H-benzimidazol-2-amine |
Physical State At Standard Conditions | Solid (predicted, as many such organic compounds are solids) |
Appearance | White to off - white powder (common for benzimidazole - based compounds) |
Melting Point | Data may vary, needs experimental determination (but typically organic compounds with such structures have melting points in the range of 100 - 300 °C) |
Boiling Point | Requires experimental determination, but likely high due to molecular weight and intermolecular forces |
Solubility In Water | Low (as it is a non - polar organic compound with limited hydrophilic groups) |
Solubility In Organic Solvents | Soluble in common organic solvents like dichloromethane, chloroform, DMSO |
Logp | Positive value indicating lipophilicity (predicted, due to the presence of multiple aromatic rings) |
Chemical Formula | C27H32FN3O |
Molecular Weight | 433.56 |
Iupac Name | 1-(4-fluorobenzyl)-N-{1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}-1H-benzimidazol-2-amine |
Appearance | Typically a solid (appearance can vary based on purity and preparation) |
Melting Point | Data may vary depending on purity; needs experimental determination |
Boiling Point | Data may vary depending on purity; needs experimental determination |
Solubility | Solubility in common organic solvents such as ethanol, dichloromethane may exist, but exact values need experimental determination |
Logp | Estimated logP value can be calculated based on structure; related to lipophilicity |
Pka | Values for benzimidazole and amine groups would have pKa values relevant for acid - base behavior; need experimental determination |
Density | Data may vary depending on purity; needs experimental determination |
What is the main use of this 1- (4-fluorobenzyl) -N- {1- [2- (4-methoxyphenyl) ethyl] piperidin-4-yl} -1H-benzimidazole-2-amine
This is an organic compound named 1- (4-cyano) -N- {1- [2- (4-methoxyphenyl) ethyl] phenyl} -1H-indole-2-formamide. This compound plays a key role in the field of medicinal chemistry, especially in the process of drug development.
In the field of anti-tumor drug research, this compound can specifically act on key targets in tumor cells due to its unique chemical structure. For example, it can bind to receptors overexpressed by certain tumor cells, thereby hindering the signal transduction pathway of tumor cell proliferation, just as blocking the communication line of the enemy army, inhibiting tumor cell proliferation and achieving the purpose of inhibiting tumor growth.
In the field of drug development for neurological diseases, it may regulate the metabolism and transmission of neurotransmitters. For Parkinson's disease, it may play a neuroprotective effect by affecting dopaminergic nerve cell-related signaling pathways, like holding up umbrella companies for damaged nerve cells and improving nervous system function.
In the field of anti-inflammatory drug development, this compound may inhibit the release of inflammatory mediators and the activation of related inflammatory signaling pathways. Just like a valve that controls the inflammatory response, it reduces the infiltration of inflammatory cells and the production of inflammatory factors, effectively reducing inflammatory symptoms.
This 1- (4-cyano) -N- {1- [2- (4-methoxyphenyl) ethyl] phenyl} -1H-indole-2-formamide has shown potential application value in many drug development directions, and is expected to bring new opportunities and hope for the treatment of various diseases.
What are the chemical properties of 1- (4-fluorobenzyl) -N- {1- [2- (4-methoxyphenyl) ethyl] piperidin-4-yl} -1H-benzimidazole-2-amine
1 - (4 -furyl) -N - {1 - [2 - (4 -methoxybenzyl) ethyl] phenyl} -1H -benzimidazole-2 -carboxylic acid, this compound has unique chemical properties. In its structure, the furan group is connected to the benzimidazole ring, which affects the electron cloud distribution and spatial configuration of the compound, giving it specific stability and reactivity.
From the perspective of electronic effect, the methoxy group in the methoxybenzyl group is the power supply. Through conjugation and induction effects, the electron cloud density of the benzene ring increases. This will not only change the electrophilic substitution activity of the compound, but also affect its interaction with other molecules. For example, in the presence of some electrophilic reagents, it may be more likely to be substituted at specific positions in the benzene ring, and the substitution check point selectivity is related to the methoxy group localization effect.
In terms of steric hindrance, the 2 - (4 - methoxybenzyl) ethyl structure is relatively large, which hinders the space around the benzimidazole ring. This spatial effect affects the intermolecular stacking mode of the compound and the binding mode with other substances. In the crystal structure or solution, the steric hindrance will change the molecular conformation, which in turn affects the physical properties such as melting point, solubility, etc.
In addition, the carboxyl group of the benzimidazole-2-carboxylic acid moiety is acidic and can participate in acid-base reactions to form salt compounds, which creates conditions for its solubility regulation in different solvents and coordination reactions with metal ions. In the presence of certain metal ions, carboxyl oxygen atoms can coordinate with metal ions to construct metal-organic complexes, which may have potential applications in catalysis and materials science.
What is the synthesis method of 1- (4-fluorobenzyl) -N- {1- [2- (4-methoxyphenyl) ethyl] piperidin-4-yl} -1H-benzimidazole-2-amine
To prepare 1 - (4 - furyl) - N - {1 - [2 - (4 - methoxybenzyl) ethyl] - 4 - yl} - 1H - indole - 2 - formamide, can be carried out according to the following ancient method.
First take 4 - methoxybenzaldehyde, make it with nitroethane in alcohol, catalyzed by base, and react with 4 - methoxy - β - nitrophenylene. This step requires temperature control and reaction time to preserve yield.
4-methoxy - β - nitrophenyl vinyl with a suitable reducing agent, such as hydrogen-palladium carbon or lithium aluminum hydride, carefully reduced to obtain 4-methoxy phenethylamine. Pay attention to the amount of reducing agent and reaction conditions during operation to prevent excessive reduction.
Another furan-4-formaldehyde is taken, and malonic acid is added to pyridine, catalyzed by piperidine, and condensed by Knoevenagel to obtain 4 - (2-furan) acrylic acid. 4- (furan-4-yl) propionic acid can be obtained by hydrogenation of 4- (2-furyl) acrylic acid.
4-methoxyphenethylamine is reacted with 4- (furan-4-yl) propionic acid in an organic solvent with a suitable condensing agent, such as dicyclohexylcarbodiimide (DCC) and 4-dimethylaminopyridine (DMAP), to give 1- (4-furyl) -N - {1- [2- (4-methoxybenzyl) ethyl]} amine.
Finally, this amine is reacted with indole-2-formyl chloride in a suitable solvent in the presence of a base to obtain the target product 1- (4-furyl) -N - {1- [2- (4-methoxybenzyl) ethyl] -4-yl} -1H -indole-2-formamide. After each step of the reaction, it needs to be separated and purified, such as extraction, column chromatography, etc., to remove impurities and obtain pure products.
What is the market price of 1- (4-fluorobenzyl) -N- {1- [2- (4-methoxyphenyl) ethyl] piperidin-4-yl} -1H-benzimidazole-2-amine
I don't know what you mean by "1 -% (4-furyl) -N - {1 - [2 - (4-methoxybenzyl) ethyl] piperidine-4-yl} -1H -indole-2-carboxylic acid" in the market price. This is a fine chemical substance, and its price often varies depending on quality, purity, supply and demand.
If it is a high-purity scientific research agent, the price may be high due to the delicate process required for preparation, harsh conditions, and limited output. However, if it is mass-produced and less pure industrial use, the price may be slightly reduced.
Moreover, the price varies depending on the place of purchase. In professional chemical reagent dealers, the price may be higher due to quality assurance and after-sales service; in online chemical trading platforms, due to fierce competition, there may be discounts.
Unfortunately, I don't know the details of the current market, so it is difficult to determine the price. For more information, you can consult the chemical reagent supplier, or check it on the chemical trading platform to know the approximate price.
What are the safety and toxicity of 1- (4-fluorobenzyl) -N- {1- [2- (4-methoxyphenyl) ethyl] piperidin-4-yl} -1H-benzimidazole-2-amine
What you are talking about is a complex chemical substance. To discuss its safety and toxicity, it is necessary to carefully consider its experimental data and related studies.
This substance has a complex structure and contains a variety of groups, and its properties may vary depending on the interaction of the groups. In terms of safety, if this substance is used in medicine, food and other fields closely related to the human body, it needs to be strictly evaluated for safety. It is inferred from its structure that if the synthesis process is impure or harmful impurities remain, it will endanger safety.
When it comes to toxicity, the characteristics of the groups are crucial. For example, some aromatic groups may be potentially toxic and can cause mutation and carcinogenesis in human cells. However, it is difficult to determine the toxicity based on the structure, and animal experiments and cell experiments are required to confirm. If exposed to this substance in industrial production, improper protection or absorption through the respiratory tract and skin may endanger health.
The safety and toxicity of chemical substances are also affected by environmental factors. Such as pH, temperature, etc., can cause its chemical properties to change, and its toxicity may increase or decrease. Therefore, in order to clarify the safety and toxicity of this substance, multiple experiments and detailed analysis are required, and no conclusion can be made based on the structure alone.