Physical State | Unknown |
Melting Point | Unknown |
Boiling Point | Unknown |
Solubility | Unknown |
Pka | Unknown |
Logp | Unknown |
Stereochemistry | Contains (2S,3S) configuration in a part of the molecule |
Functional Groups | Benzyloxy, hydrazino, carbonyl, amino, piperazinyl, phenoxy, triazolyl, difluorophenyl |
Chemical Formula | C45H51F2N9O4 |
Molecular Weight | 823.94 g/mol |
2,5-Anhydro-4- {[4- (4- {4- [ ({1- [ (2S, 3S) -2- (benzyloxy) pentan-3-yl] hydrazino} carbonyl) amino] phenyl} piperazin1-yl) phenoxy] methyl} -1,3,4-trideoxy-2- (2,4-difluorophenyl) -1- (1H-1,2,4-triazol-1-yl) - What is the chemical structure?
Alas! This is the chemical structure of organic compounds. Looking at the formula, it is extremely complicated. 2,5 - dehydration - 4 - {[4 - (4 - {4 - [( { 1 - [ (2S, 3S) - 2 - (benzyloxy) pentyl - 3 - yl] hydrazine} carbonyl) amino] phenyl} piperazine - 1 - yl) phenoxy] methyl} -1,3,4 - trideoxy - 2 - (2,4 - difluorophenyl) -1 - (1H - 1,2,4 - triazole - 1 - yl). < Br >
In its structure, it contains many functional groups. Such as benzoxy, which is connected to the oxygen group with benzyl, which has a certain steric hindrance and chemical activity. The introduction of 2,4-difluorophenyl, fluorine atoms, affects the electron cloud distribution of the molecule, changing its polarity and reactivity. 1,2,4-triazolyl, such nitrogen-containing heterocycles, has unique electronic properties and coordination ability.
has a carbon chain structure such as pentanyl, which provides a certain hydrophobic and spatial framework for the molecule. Piperazinyl, phenoxy, etc. are connected to each other, forming a complex spatial configuration. The overall structure of this compound, due to the interaction of various groups, determines its physical and chemical properties, such as solubility, stability, reactivity, etc., and may have specific uses and significance in organic synthesis, medicinal chemistry, and other fields.
2,5-Anhydro-4- {[4- (4- {4- [ ({1- [ (2S, 3S) -2- (benzyloxy) pentan-3-yl] hydrazino} carbonyl) amino] phenyl} piperazin1-yl) phenoxy] methyl} -1,3,4-trideoxy-2- (2,4-difluorophenyl) -1- (1H-1,2,4-triazol-1-yl) - What are the physical properties?
2% 2C5 - dehydrated - 4 - {[4 - (4 - {4 - [( { 1 - [ (2S, 3S) - 2 - (benzyloxy) pentyl - 3 - yl] hydrazinyl} carbonyl) amino] phenyl} piperazine - 1 - yl) phenoxy] methyl} - 1,3,4 - trideoxy - 2 - (2,4 - difluorophenyl) - 1 - (1H - 1,2,4 - triazole - 1 - yl) The physical properties of this substance are particularly important for its many applications The performance of.
From the perspective of its structure, it contains a variety of groups, and its physical properties are also rich. In this compound, the presence of benzyloxy groups makes the molecule have certain hydrophobicity. The aromatic ring structure, such as benzene ring and triazole ring, endows the molecule with planarity and π-π accumulation tendency, or affects its crystallinity and solid state arrangement. The introduction of difluorophenyl groups not only increases hydrophobicity, but also affects the molecular polarity and electron cloud distribution due to the high electronegativity of fluorine atoms.
From the perspective of the aggregate state, it may have a tendency to crystallize, because the regular structure is conducive to the orderly arrangement of molecules. However, the complex structure of the molecule or the crystallization process is disturbed, resulting in various crystal forms. In terms of solubility, due to the dominance of hydrophobic groups, the solubility in polar solvents such as water may be low, while in non-polar or weakly polar organic solvents such as chloroform and dichloromethane, the solubility may be relatively high.
Determination of melting point may become a key physical parameter. Intermolecular interactions, such as hydrogen bonds, van der Waals forces and π-π stacking, all affect the melting point. Due to its complex structure, intermolecular forces are abundant, and melting points or specific ranges need to be accurately determined experimentally.
In addition, the physical properties of this compound, such as refractive index and density, are also closely related to molecular structure. Refractive index reflects the ability of molecules to refract light and is affected by the distribution and structure of molecular electron clouds. Density is related to molecular mass and stacking density. All physical properties require rigorous experimental determination in order to lay the foundation for their subsequent research and application.
2,5-Anhydro-4- {[4- (4- {4- [ ({1- [ (2S, 3S) -2- (benzyloxy) pentan-3-yl] hydrazino} carbonyl) amino] phenyl} piperazin1-yl) phenoxy] methyl} -1,3,4-trideoxy-2- (2,4-difluorophenyl) -1- (1H-1,2,4-triazol-1-yl) - What is the synthesis method?
To obtain 2% 2C5 - dehydrated - 4 - {[4 - (4 - {4 - [( { 1 - [ (2S, 3S) -2 - (benzyloxy) pentyl - 3 - yl] hydrazinyl} carbonyl) amino] phenyl} piperazine - 1 - yl) phenoxy] methyl} -1,3,4 - trideoxy - 2 - (2,4 - difluorophenyl) -1- (1H - 1,2,4 - triazole - 1 - yl) synthesis method, need to follow the delicate method. At the beginning of
, when (2S, 3S) -2 - (benzyloxy) pentyl-3-amine is used as a group, it is made to meet with an appropriate carbonylation reagent, and the two are blended. After careful preparation of the reaction conditions, such as selecting an appropriate solvent, controlling the temperature and duration, the amine group and the carbonylation reagent are reduced to {1- [ (2S, 3S) -2 - (benzyloxy) pentyl-3-yl] hydrazine} carbonyl structure.
Then, take 4- (4- {4-hydroxyphenyl} piperazine-1-yl) phenol, make it with the above-mentioned obtained matter, by condensation method, with matching catalyst assistance, under the right environment, make the hydroxyl group and {1- [ (2S, 3S) -2 - (benzyloxy) pentyl-3-yl] hydrazine} carbonyl linked to the amino phase and produce piperazine-containing key intermediates linked to phenoxy.
Then combine this intermediate with the structural unit containing 2,4-difluorophenyl and 1H-1,2,4-triazole-1-group, through ingenious substitution reaction, or by means of nucleophilic substitution, carefully modulate the reaction system, so that the two are closely connected.
During the process, every step needs to be carefully controlled, the reaction process needs to be monitored in detail, the reagents used should be pure, and the instrument operation must be accurate in order to obtain the synthesis of this target product. Such a complicated method requires the operator to be in awe and skilled in order to achieve this great cause.
2,5-Anhydro-4- {[4- (4- {4- [ ({1- [ (2S, 3S) -2- (benzyloxy) pentan-3-yl] hydrazino} carbonyl) amino] phenyl} piperazin1-yl) phenoxy] methyl} -1,3,4-trideoxy-2- (2,4-difluorophenyl) -1- (1H-1,2,4-triazol-1-yl) - What are the application fields?
This is the difficult expression of chemistry, 2,5 - dehydration - 4 - {[4 - (4 - {4 - [( { 1 - [ (2S, 3S) -2 - (benzyloxy) pentyl - 3 - yl] hydrazinyl} carbonyl) amino] phenyl} piperazine - 1 - yl) phenoxy] methyl} -1,3,4 - trideoxy - 2 - (2,4 - difluorophenyl) -1 - (1H - 1,2,4 - triazole - 1 - yl), its application field is quite wide. < Br >
In the field of medicine, or with its unique chemical structure, it can be used as a key intermediate for the development of new drugs. Because the structure and activity of drug molecules are closely related, this compound has a specific group and spatial configuration, which may endow drugs with specific pharmacological activities, such as showing affinity and inhibition or agitation to specific disease-related targets, and then it is expected to be used in the treatment of diseases. Potential applications exist in fields such as antibacterial, antiviral, and antitumor.
In the field of materials science, this compound may play a role in material modification due to its own chemical properties. For example, the special functional groups it contains can interact with certain polymer materials to improve the physical and chemical properties of materials, such as enhancing the stability of materials and changing the wettability of the surface of materials, so as to be applied to the preparation of high-performance materials.
Or in the field of organic synthetic chemistry, it can be used as an important module for the construction of more complex organic molecules. With its existing structural foundation, it can be further derived through organic synthesis to expand the structural diversity of compounds, providing a new starting point and direction for the study of organic synthetic chemistry, and helping to explore more organic compounds with unique properties.
2,5-Anhydro-4- {[4- (4- {4- [ ({1- [ (2S, 3S) -2- (benzyloxy) pentan-3-yl] hydrazino} carbonyl) amino] phenyl} piperazin1-yl) phenoxy] methyl} -1,3,4-trideoxy-2- (2,4-difluorophenyl) -1- (1H-1,2,4-triazol-1-yl) - What are the related derivatives?
I look at this chemical name, which is very complicated, and this is the category of fine chemistry. Related derivatives are the first azole antifungal drugs. Looking at its structure, it contains 1,2,4-triazole groups, which are the key characteristics of azole antifungal drugs.
or derivatives with modified side chains. At the side chain, there are benzyloxy, difluorophenyl and other groups, which have a significant impact on its activity and characteristics. Modified side chains can obtain derivatives with different lipophilicity, stability or targeting.
Furthermore, piperazinyl and its linked phenoxy structure are also the focus of derivatization. Adjusting the piperazine ring substituent or changing the phenoxy surrounding group can optimize its ability to bind to the target and improve the pharmacokinetic properties.
There are changes in the sugar ring part. The adjustment of 2,5-dehydration-1,3,4-tri-deoxy structure, or the increase or decrease of the substituent on the sugar ring, may derive new active compounds.
The development of such derivatives, multi-focus to improve antifungal activity, reduce toxic and side effects, and improve pharmacokinetic properties. After chemical modification and structural optimization, it is hoped to obtain more effective and safe antifungal drugs to meet clinical needs.