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What is the chemical structure of (E) -1- (2- (pentyloxy) phenyl) ethenyl) -1H-imidazole monohydrochloride
This is a compound named " (E) -1- (2- (methylthio) -1- (2- (pentoxy) phenyl) vinyl) -1H-imidazole, monohydrochloride". Looking at its naming, its chemical structure can be gradually analyzed according to the nomenclature of organic chemistry.
" (E) " indicates that the compound has a trans configuration, revealing that the larger groups on both sides of the double bond in the molecule are in opposite positions. "1- (2- (methylthio) -1- (2- (pentoxy) phenyl) vinyl) " part, indicating that the imidazole ring is connected to a specific substituent at position 1. In this substituent, the vinyl group is connected with a methylthio-containing carbon atom at one end and a 2- (pentoxy) phenyl group at the other end. The methylthio group is of the structure of "-CH ³ -S-CH < unk >", the pentoxy group is of the structure of "-O- (CH < unk >) -CH < unk >", and the phenyl group is a benzene ring. The 2 - (pentoxy) phenyl group is a pentoxy group attached to the phenyl ring at position 2. "1H-imidazole" indicates that the main structure is an imidazole ring, which is a five-membered heterocycle containing two nitrogen atoms. " Monohydrochloride "means that the compound forms a salt with a molecule of hydrogen chloride, that is, there is a salt bond formed by the interaction of hydrochloric acid in the molecule, or a proton binds to the nitrogen atom on the imidazole ring, and at the same time corresponds to a chloride ion, forming an ionic compound as a whole. From this, the chemical structure of the compound can be roughly outlined.
What are the physical properties of (E) -1- (2- (pentyloxy) phenyl) ethenyl) -1H-imidazole monohydrochloride
(E) - 1 - (2 - (methylthio) - 1 - (2 - (pentoxy) phenyl) vinyl) - 1H - imidazole, monohydrochloride, this is an organic compound. Its physical properties are as follows:
Looking at its properties, under normal temperature and pressure, or as a solid, it is often white to white powder, delicate and uniform, and this form is easy to store and use.
When it comes to melting point, due to the interaction between atoms in the molecular structure, it is given a specific melting point range, which is roughly between [X] ° C and [X] ° C. This melting point characteristic is of great value in identification and purity determination.
In terms of solubility, in view of the fact that there are both hydrophobic alkyl groups in the molecule, imidazole rings with certain polarity and groups that can form salts, in organic solvents, such as ethanol and dichloromethane, it exhibits moderate solubility. In ethanol, with the increase of temperature, the solubility may increase. Due to the increase in temperature, the thermal movement of molecules can be enhanced, and the interaction between solute and solvent molecules can be intensified. In water, due to the presence of hydrochloric acid salts, it has certain ionic characteristics, so it has a certain solubility, and can form a clear or slightly turbid solution.
In terms of stability, under normal environmental conditions, if stored in a cool place away from light, it can be maintained relatively stable. However, when encountering strong oxidizing agents, strong acids and bases, or due to chemical reactivity, the molecular structure may be damaged. For example, in strong acids, the nitrogen atom or protonation of the imidazole ring triggers a change in the molecular charge distribution, resulting in a change in properties; under strong bases, the ether bond or ester bond of the alkyl part (if there is a similar structure) or hydrolysis fracture, affecting its chemical integrity.
What is the use of (E) -1- (2- (methylthio) -1- (2- (pentyloxy) phenyl) ethenyl) -1H-imidazole monohydrochloride
(E) - 1 - (2 - (methylthio) - 1 - (2 - (pentoxy) phenyl) vinyl) - 1H - imidazole monohydrochloride, an organic compound. It has a wide range of uses and is often regarded as a key intermediate in the field of pharmaceutical research and development. Due to its structure containing an imidazole group, this group has unique chemical activity and can interact with many biological targets. Medicinal chemists use it to design and synthesize new compounds with specific pharmacological activities, either for disease treatment or for drug lead compound screening.
In the field of materials science, this compound also has its uses. Due to its structural properties, it may participate in material polymerization reactions, giving materials such as special electrical and optical properties, which can be used to prepare organic optoelectronic materials, sensor materials, etc. For example, after specific chemical modifications, it may be made to emit light at specific wavelengths, and then applied to the manufacture of organic Light Emitting Diodes (OLEDs) to improve the performance of display technology.
In addition, in the field of organic synthetic chemistry, as a characteristic structural unit, it can use various chemical reactions to construct more complex organic molecular structures, providing assistance for organic synthetic chemists to explore novel synthetic routes and expand the structural diversity of compounds. In short, this compound has important potential value in many scientific research and industrial fields, and is like the key to opening the door to new research and applications.
What is the synthesis method of (E) -1- (2- (pentyloxy) phenyl) ethenyl) -1H-imidazole monohydrochloride
To prepare (E) - 1 - (2 - (methylthio) - 1 - (2 - (pentoxy) phenyl) vinyl) - 1H - imidazole monohydrochloride, the synthesis method is as follows:
First take 2 - (pentoxy) benzaldehyde as a starting material and make it react with a sulfur-containing reagent. This sulfur-containing reagent can be sodium methanethiol or the like to introduce methylthio. After this reaction, an intermediate product such as 2 - (methylthio) - 1 - (2 - (pentoxy) phenyl) acetaldehyde can be obtained.
times, the obtained intermediate product is condensed with imidazole in the presence of an appropriate condensing agent. The condensing agent can be selected such as triphenylphosphine, diethyl azodicarboxylate, etc. After condensation reaction, (E) -1- (2- (methylthio) -1- (2- (pentoxy) phenyl) vinyl) -1H -imidazole is formed.
Finally, the above product is reacted with hydrogen chloride gas or hydrochloric acid solution to form its monohydrochloride salt. The reaction process should pay attention to factors such as reaction temperature, time and the proportion of reactants. The temperature may be controlled between 0 - 50 ℃, the reaction time may take several hours to tens of hours, and the proportion of reactants should also be precisely prepared to achieve the best yield and purity. In this way, (E) -1- (2- (methylthio) -1- (2- (pentoxy) phenyl) vinyl) -1H -imidazole monohydrochloride can be obtained.
(E) 1- (2- (Methylthio) -1- (2- (pentyloxy) phenyl) ethenyl) -1H-imidazole monohydrochloride
This is (E) -1 - (2- (methylthio) -1 - (2- (pentoxy) phenyl) vinyl) -1H -imidazole monohydrochloride. Many matters need to be paid attention to when it comes to the safety of this substance.
First, the chemical is potentially toxic. This compound may be toxic by inhalation, ingestion, skin contact, etc. During the operation, be sure to wear appropriate protective equipment, such as gloves, goggles, lab clothes and gas masks, to prevent contact. After the operation, wash your hands and expose your skin in time to avoid toxic residues.
Second, pay attention to its flammability characteristics. Some organic compounds are flammable. Although this substance is not clear, it is still necessary to pay attention to the operating environment away from fire and heat sources to avoid static electricity accumulation. If it is flammable under specific conditions, it should be stored separately from the oxidant to prevent fire and explosion accidents.
Third, pay attention to storage conditions. It should be stored in a cool and well-ventilated place to avoid light and moisture to prevent deterioration or dangerous reactions. And it needs to be strictly sealed and stored to prevent evaporation and escape from causing air pollution and personnel exposure risks.
Fourth, operating specifications are also critical. Operate in a fume hood to ensure good ventilation and timely discharge of volatile gases. Take and weigh accurately to avoid waste and pollution. After the experiment is completed, properly dispose of the waste, and dispose of it in accordance with relevant regulations and laboratory regulations.
In short, when operating (E) -1 - (2 - (methylthio) -1 - (2 - (pentoxy) phenyl) vinyl) -1H - imidazole monohydrochloride, it is necessary to strictly follow safety procedures to ensure personnel safety and environmental safety.