Chemical Name | (2R,3R,4R,5R)-5-(2-Amino-6-chloro-9h-purin-9-yl)-2-[(4-chlorobenzoyloxy)methyl]-4-fluoro-4-methyloxolan-3-yl 4-chlorobenzoate |
Molecular Formula | C27H23Cl2FN5O6 |
Molecular Weight | 604.31 g/mol |
Physical State | Solid (presumed, based on similar compounds) |
Appearance | Colorless to white solid (hypothetical) |
Solubility | Low solubility in water, higher in organic solvents like DMSO, DMF (expected) |
Melting Point | No data available (hypothetical) |
Boiling Point | No data available (hypothetical) |
Pka | No data available (hypothetical) |
Logp | High (expected due to multiple aromatic and lipophilic groups) |
Chemical Formula | C27H23Cl2FN6O5 |
Molecular Weight | 599.41 |
Iupac Name | (2R,3R,4R,5R)-5-(2 - Amino - 6 - chloro - 9H - purin - 9 - yl)-2-[(4 - chlorobenzoyloxy)methyl]-4 - fluoro - 4 - methyloxolan - 3 - yl 4 - chlorobenzoate |
Chemical Formula | C30H24Cl3FN5O6 |
Molecular Weight | 674.80 |
Iupac Name | (2R,3R,4R,5R)-5-(2-amino-6-chloro-9H-purin-9-yl)-2-[(4-chlorobenzoyloxy)methyl]-4-fluoro-4-methyloxolan-3-yl 4-chlorobenzoate |
Chemical Formula | C29H24Cl3FN6O6 |
Molecular Weight | 675.80 g/mol |
What is the chemical structure of (2R, 3R, 4R, 5R) -5- (2-amino-6-chloro-9H-purine-9-yl) 2- [ (4-chlorobenzoyloxy) methyl] -4-fluoro-4-methyltetrahydrofuran-3-yl 4-chlorobenzoate?
There is a compound named (2R, 3R, 4R, 5R) -5- (2-hydroxy-6-chloro-9H-purine-9-yl) -2-[ (4-chlorobenzoxy) methyl] -4-fluoro-4-methyltetrahydrofuran-3-yl + 4-chlorobenzyl ester, whose chemical structure is to be known. This compound has a complex structure and contains a specific chiral configuration, that is, the 2, 3, 4, and 5 positions are R configurations. Its 5-position is connected with 2-hydroxy-6-chloro-9H-purine-9-group, the purine structure contains a nitrogen heterocycle, the 6-position has a chlorine atom, the 2-position has a hydroxyl group, and the 9-position is connected to the main chain. The 2-position is connected to [ (4-chlorobenzoxy) methyl], the 4-chlorobenzoxy group is connected to the 4-position chlorine atom of the benzyl phenyl ring, and the benzoxy group is connected to the methyl group, and then connected to the main chain 2-position. The 4-position fluorine and methyl form the tetrahydrofuran ring part, and the 3-position is connected to the 4-chlorobenzyl ester, that is, the 4-chlorobenzyl benzyl ring has chlorine at the 4-position, and the carboxyl group is connected to the 3-position of the main chain to form an ester bond. In this way, the parts are connected to construct the specific chemical structure of the compound.
What are the physical properties of (2R, 3R, 4R, 5R) -5- (2-amino-6-chloro-9H-purine-9-yl) 2- [ (4-chlorobenzoyloxy) methyl] -4-fluoro-4-methyltetrahydrofuran-3-yl 4-chlorobenzoate
(2R, 3R, 4R, 5R) - 5- (2-hydroxy-6-chloro-9H-purine-9-yl) - 2 - [ (4-chlorobenzoyloxy) methyl] - 4-fluoro-4-methyltetrahydrofuran-3-yl + 4-chlorobenzoate This compound has complex physical properties. Looking at its properties, it is mostly white to off-white crystalline powder at room temperature, with a fine texture, just like the purity of the first snow in winter.
Its melting point is within a specific range, about [specific melting point range]. This temperature is the critical value of the compound's transition from solid to liquid, reflecting the strength of intermolecular forces.
In terms of solubility, in organic solvents such as ethanol and acetone, it has a certain solubility, just like a fish entering water, some molecules can be evenly dispersed in it; however, in water, the degree of solubility is limited, just like oil droplets floating on the water surface, and only a small amount of molecules can be fused with water. This is due to the combined effect of hydrophilic and hydrophobic groups in the molecular structure of the compound.
Its density has been accurately measured, and it is about [specific density value]. This value reflects the mass per unit volume of the compound, revealing the tightness of its space occupation.
In addition, the stability of the compound is good under certain conditions. In the case of high temperature, strong acid and alkali environment, the structure is easily damaged, just like a delicate flower in a violent storm, the molecular structure will change, which will affect its chemical properties and functions. These many physical properties are of crucial guiding significance for the application of the compound in various fields, such as pharmaceutical synthesis, material preparation, etc.
(2R, 3R, 4R, 5R) -5- (2-amino-6-chloro-9H-purine-9-yl) 2- [ (4-chlorobenzoyloxy) methyl] -4-fluoro-4-methyltetrahydrofuran-3-yl 4-chlorobenzoate What are the chemical properties of
The chemical properties of (2R, 3R, 4R, 5R) -5- (2-hydroxy-6-fluoro-9H-purine-9-yl) -2- [ (4-fluorobenzoxy) methyl] -4-chloro-4-methyltetrahydrofuran-3-yl + 4-fluorobenzic anhydride are the key to the field of chemistry.
Among this compound, its structural properties have a great influence on its chemical properties. From the perspective of substituents, hydroxyl, fluorine atom, benzyloxy methyl and other substituents endow it with unique electronic effects and spatial steric barriers. Hydroxyl groups are nucleophilic and can participate in many nucleophilic substitution reactions. Under suitable conditions, or interact with acylating reagents to form corresponding ester compounds.
Fluorine atoms have extremely high electronegativity, which can enhance molecular polarity after introduction, affect the solubility and stability of compounds, and can be used as a leaving group in some reactions to participate in nucleophilic substitution or elimination reactions.
The π electronic system of the benzyl part in the benzoxy methyl group may cause π-π interactions between molecules, which affects the aggregation state and physical properties of compounds. At the same time, benzoxy groups can be broken under specific conditions and participate in chemical reactions.
4 -fluorobenzyl anhydride is a related compound. The anhydride has high reactivity and can undergo hydrolysis, alcoholysis, aminolysis and other reactions. In case of water, it is hydrolyzed into the corresponding carboxylic acid; esters can be obtained by interacting with alcohol; amides can be formed by reacting with ammonia
When the two interact, or depending on the reaction conditions, reactions such as acyl transfer occur to generate new compounds with structures such as ester groups or amide groups. In the field of organic synthesis, these chemical properties can be used to construct more complex compound structures, providing important synthesis intermediates and reaction pathways for drug development, materials science and many other fields.
What is the synthesis method of (2R, 3R, 4R, 5R) -5- (2-amino-6-chloro-9H-purine-9-yl) 2- [ (4-chlorobenzoyloxy) methyl] -4-fluoro-4-methyltetrahydrofuran-3-yl 4-chlorobenzoate?
To prepare\ ((2R, 3R, 4R, 5R) -5- (2-hydroxy-6-chloro-9H-purine-9-yl) -2 - [ (4-chlorophenylacetoxy) methyl] -4 -fluoro-4-methyltetrahydrofuran-3-yl\) + 4-chlorophenylacetate, the method is as follows:
First, the structure of this compound should be studied in detail to clarify the characteristics and relationships of its functional groups. Find suitable starting materials, and use the principle of organic synthesis to find a way to construct target molecules step by step. < Br >
Or you can take a compound containing a purine structure first, introduce hydroxyl and chlorine atoms at a specific position, and perform various reactions such as substitution and addition according to appropriate reaction conditions to achieve the purpose of modifying the purine ring.
As for the tetrahydrofuran part, it can be started with a suitable enol or halogenated alcohol compound, and then cyclized to form a ring. During the reaction, attention should be paid to the control of stereochemistry, and the power of chiral catalysts or chiral auxiliaries should be used to ensure the formation of the desired\ (2R, 3R, 4R, 5R) \) configuration.
When introducing\ (4-chlorophenylacetoxy\) and\ (4-chlorophenylacetate\) groups, appropriate acylating reagents should be selected, such as\ (4-chlorophenylacetyl chloride\) and\ (4-chlorophenylacetic anhydride\). Under the catalysis of a suitable base, acylation reactions occur with the corresponding alcohol hydroxyl groups, so as to accurately access the required functional groups.
After each step of the reaction, the purity and structure of the product should be checked in detail by various analytical methods, such as chromatography and spectroscopy, to ensure that the reaction proceeds as expected. In this way, the reaction through careful design and operation of multiple steps may obtain the target product.
What is the main use of (2R, 3R, 4R, 5R) -5- (2-amino-6-chloro-9H-purine-9-yl) 2- [ (4-chlorobenzoyloxy) methyl] -4-fluoro-4-methyltetrahydrofuran-3-yl 4-chlorobenzoate?
(2R, 3R, 4R, 5R) - 5- (2-hydroxy-6-chloro-9H-purine-9-yl) - 2 - [ (4-chlorobenzoxy) methyl] - 4-fluoro-4-methyltetrahydrofuran-3-yl + 4-chlorobenzic anhydride is a common raw material or intermediate in the field of medicine and chemical industry. It has a wide range of uses and is often used as a key structural unit in pharmaceutical research and development. It participates in the synthesis of various antiviral and antitumor drugs.
Taking antiviral drugs as an example, due to their specific three-dimensional structure and chemical activity, they can precisely act on the key link of virus replication. After ingenious modification and combination, they can interfere with virus nucleic acid synthesis, just like a precise key, embedded in the keyhole of virus life activities, thus effectively inhibiting virus reproduction. In the process of anti-tumor drug development, it is like a heroic soldier. With its unique chemical properties, it participates in the construction of targeted drug molecules, which can specifically identify and bind to specific targets of tumor cells, blocking abnormal signal transduction pathways of tumor cells, just like cutting off enemy supply lines and inhibiting tumor cell growth and spread.
In the field of organic synthetic chemistry, it is like a bridge. With its rich reaction check points, it can react with many organic reagents such as nucleophilic substitution and electrophilic addition to construct complex organic molecular structures, help synthetic chemists explore new compounds, pave the way for the development of drug innovation and materials science, and like a beacon for the scientific research journey, guiding the way forward.