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What is the chemical structure of this product 1H - Imidazole, 1- (2- (methylthio) -1- (2- (pentyloxy) phenyl) ethenyl) -, monohydrochloride, (E) -
This is a compound named 1- (2- (methylthio) -1- (2- (pentoxy) phenyl) vinyl) -1H-imidazole monohydrochloride (type E). To clarify its chemical structure, it can be analyzed as follows.
First view imidazole part, 1H-imidazole has a five-membered nitrogen-containing heterocyclic structure, and the dinitrogen atom is in an intermediate position. This ring is common in many bioactive molecules and has unique electronic properties and reactivity.
Second look at the substituent, a long chain substituent is connected at the 1-position. This substituent contains a benzene ring, the 2-position pentoxy of the benzene ring, and the pentoxy group is a linear alkoxy group containing five carbons, which can increase molecular fat solubility and affect its transport and distribution in vivo.
Furthermore, the 1-position vinyl of the benzene ring, and the 2-position of the vinyl is connected to a group containing methylthio. Methylthio is a substituent with a sulfur atom, and its electronic effect and steric hindrance have a great influence on the overall properties of the molecule.
Finally, the compound forms a salt and combines with one molecule of hydrochloric acid to form a monohydrochloride salt. After salt formation, the physical and chemical properties of the compound, such as solubility and stability, may change significantly.
In this way, 1- (2- (methylthio) -1 - (2- (pentoxy) phenyl) vinyl) -1H -imidazole monohydrochloride (type E), its chemical structure is composed of imidazole ring, specific substituents and salt-forming forms. The interaction of each part gives this compound unique physicochemical and biological activities.
1H - Imidazole, 1- (2- (methylthio) -1- (2- (pentyloxy) phenyl) ethenyl) -, monohydrochloride, (E) - What are the physical and chemical properties
1-H-imidazole, 1 - (2 - (methylthio) -1 - (2 - (pentoxy) phenyl) vinyl) -, monohydrochloride, (E) - This material has many physical and chemical properties. Its appearance or specific form, because organic compounds are often crystalline, or crystalline solid, color or colorless transparent, or yellowish color, which is related to molecular structure and impurities.
In terms of solubility, in view of the presence of polar groups and hydrophobic parts, there may be a certain solubility in polar organic solvents such as methanol and ethanol, because polar solvents and polar parts of compounds can form interactions; while in water, the solubility may be limited, because hydrophobic long-chain pentoxy and methylthio groups will weaken its water solubility.
In terms of melting point, there are interactions such as van der Waals force and hydrogen bond between molecules, which cause them to have a specific melting point. After structural analysis, it is expected that the melting point is within a certain range. The specific numerical value needs to be accurately determined by experiments. Due to the interaction of various groups in the molecular structure, the molecular accumulation mode and the force strength are changed. In terms of stability, it is relatively stable under conventional conditions. However, under extreme conditions such as strong acid, strong base or high temperature, the structure may change. In case of strong acid, the nitrogen atom or proton on the imidazole ring changes its chemical properties; at high temperature, the chemical bond may break, triggering a decomposition reaction. Because it contains chemical bonds such as carbon-sulfur and carbon-oxygen, different bond energies determine its stability under specific conditions.
What is the main use of this product 1H - Imidazole, 1- (2- (methylthio) -1- (2- (pentyloxy) phenyl) ethenyl) -, monohydrochloride, (E) -
This substance 1H-imidazole, 1- (2- (methylthio) -1 - (2- (pentoxy) phenyl) vinyl) -, monohydrochloride, (E) -, in the era of "Tiangong Kaiwu", it is difficult to have exact uses. At that time, chemical synthesis technology was not developed, and this fine chemical structure of the substance has not yet been invented.
However, from today's perspective, compounds containing imidazole structure have a wide range of uses. In the field of medicine, or can be used as a drug intermediate, because imidazole ring has good biological activity and coordination ability, it helps drug molecules to combine with targets to develop antibacterial, antiviral, antitumor and other drugs. In materials science, it may be able to participate in the synthesis of functional polymer materials, with its unique electronic structure and reactivity, to improve the electrical and optical properties of materials. In the field of catalysis, it can be used as a ligand to coordinate with metal ions to construct efficient catalysts to promote organic reactions. Although this material is not included in Tiangong Kaiji, its role in the development of modern science and technology cannot be underestimated.
What are the production methods of 1H - Imidazole, 1- (2- (methylthio) -1- (2- (pentyloxy) phenyl) ethenyl) -, monohydrochloride, (E) -
Nowadays, there are methods for preparing (E) -1 - (2 - (methylthio) -1 - (2 - (pentoxy) phenyl) vinyl) imidazole hydrochloride. There are many methods, and each has its advantages and disadvantages.
First, benzaldehyde with corresponding substituents can be started. First, pentanol and phenolic compounds are etherified to obtain 2- (pentoxy) benzaldehyde. In this step, a suitable catalyst, such as strong acid or Lewis acid, needs to be selected to control the reaction temperature and time to increase the yield. Then, 2 - (pentoxy) benzaldehyde and methylthio-containing vinyl reagent are catalyzed by strong base, through Wittig reaction or Horner-Wadsworth-Emmons reaction, to generate (E) -1 - (2 - (methylthio) -1 - (2 - (pentoxy) phenyl) vinyl) benzene. Among them, the Wittig reaction needs to prepare phosphorus Yellide reagent, which is slightly complicated to operate; the Horner-Wadsworth-Emmons reaction is easy to prepare raw materials and simple to operate. Finally, the obtained alkenyl benzene is reacted with imidazole under appropriate conditions, and then acidified with hydrochloric acid to obtain the target product. < Br >
Second, it can also use 2 - (pentoxy) acetophenone as the starting material. First, it is converted into enol silica ether or enol lithium salt, and then reacted with halogenated hydrocarbons containing methyl thio groups to introduce methylthio groups. Then after dehydration, a carbon-carbon double bond is formed. Finally, it is reacted with imidazole to obtain the product of hydrochloric acid acidification. This route step is slightly simpler, but the enolization and subsequent reaction conditions need to be precisely controlled, otherwise the purity and yield of the product will be affected.
Third, the coupling reaction catalyzed by transition metals can also be used. For example, 2 - (pentoxy) halogenated benzene, methylthio-containing vinyl borate or tin reagents are coupled under the catalysis of transition metals such as palladium to obtain alkenyl benzene intermediates, which are then reacted with imidazole and acidified with the same method. This method has good selectivity and high yield, but the transition metal catalyst is expensive, and the reaction requires strict anhydrous and oxygen-free conditions, which requires high equipment and operation.
1H - Imidazole, 1- (2- (methylthio) -1- (2- (pentyloxy) phenyl) ethenyl) -, monohydrochloride, (E) - What are the precautions during storage and transportation
This is called (E) -1- (2- (methylthio) -1- (2- (pentoxy) phenyl) vinyl) -1H-imidazole hydrochloride. There are many things to pay attention to during storage and transportation.
First pay attention to environmental conditions. When storing, choose a dry, cool and well-ventilated place. If the environment is humid, this compound may interact with water vapor, causing its properties to change and even deteriorate. Temperature is also critical. Excessive temperature may cause a chemical reaction, causing it to decompose or reduce stability; too low temperature may affect its physical state, such as crystallization, solidification, etc., so the temperature should be controlled within an appropriate range.
Furthermore, it is necessary to ensure that the packaging is intact during transportation. The packaging of this compound must be strong and can resist vibration, collision and friction to prevent leakage caused by package rupture. Once leaked, it will not only wear out the product, but also pose a threat to the environment and personnel safety.
In addition, due to its chemical properties, storage and transportation should avoid contact with oxidants, acids, alkalis and other substances. These substances may react chemically with the compound, causing dangerous accidents such as combustion and explosion.
At the same time, the storage and transportation site should be equipped with corresponding emergency treatment equipment and materials. In the unfortunate event of leakage or other accidents, emergency treatment can be carried out quickly to reduce the harm. And operators need to be professionally trained and familiar with the characteristics of the compound and emergency treatment methods.
In short, for the storage and transportation of (E) -1- (2- (methylthio) -1- (2 - (pentoxy) phenyl) vinyl) -1H - imidazole hydrochloride, all links must be treated with caution to ensure safety and quality.