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What is the chemical structure of N- [4- [2- (2-amino-4,7-dihydro-4-oxo-3H-pyrrolido [2,3-d] pyrimidine-5-yl) ethyl] benzoyl] -L-glutamic acid, 1,5-diethyl ester, 4-methylbenzene sulfonate (1:1)
This is a question about the structure analysis of an organic compound. To clarify the structure of the compound, its naming needs to be analyzed in detail. This name is complicated and can be disassembled and looked at one by one.
"N - [4 - [2 - hydroxy - 4,7 - dioxo - 4 - oxo - 3H - imidazolo [2,3 - d] pyrimidine - 5 - yl) ethyl] benzyl] - L - glutamic acid, 1,5 - diethyl ester, 4 - methylbenzyl ester (1:1) ".
From the nomenclature, it can be seen that the core part of this compound contains the structure of imidazolo [2,3-d] pyrimidine, on which there are many substituents. There are hydroxyl, dioxy, oxo and other oxygen-containing groups modified at specific positions of the pyrimidine ring. The fourth position is connected with a long-chain substituent containing benzyl and ethyl, and the ethyl group is connected to the part where the 2-hydroxy group is located.
"L-glutamic acid" indicates that this compound contains glutamic acid structural units and is of the L configuration. 1,5-diethyl ester refers to the formation of ester groups with ethanol at the 1st and 5th carboxyl groups of glutamic acid. 4-Methylbenzyl ester is an ester of another carboxyl group of glutamic acid and 4-methylbenzyl alcohol in a ratio of 1:1.
To sum up, the structure of the compound is composed of imidazolo [2,3-d] pyrimidine as the core, connected to a specific long chain of substituents, connected to L-glutamic acid through ester bonds, and modified with specific ester groups, thus constituting its complex chemical structure.
What is the main use of N- [4- [2- (2-amino-4,7-dihydro-4-oxo-3H-pyrrolido [2,3-d] pyrimidine-5-yl) ethyl] benzoyl] -L-glutamic acid, 1,5-diethyl ester, 4-methylbenzene sulfonate (1:1)
N - [4 - [2 - (2 - hydroxy - 4,7 - dioxo - 4 - oxo - 3H - imidazolo [2,3 - d] pyrimidine - 5 - yl) ethyl] benzyl] - L - glutamine, 1,5 - diethylbenzene, 4 - methylbenzenesulfonic anhydride (1:1) This compound, although it was not available in the era covered by "Tiangong Kaiwu", but by ancient reasoning, if it existed at that time, its use may be related to the characteristics of the substance.
Looking at its structure, it contains a variety of groups. Hydroxy, glutamine and other groups make the compound have a certain tendency to hydrophilicity and biological activity. If it is ancient, or because of hydrophilicity, it can be used for similar solubility and dispersion purposes, such as in drug processing or pigment preparation, the insoluble components are evenly dispersed.
1,5-diethylbenzene is an aromatic hydrocarbon, with certain volatility and solubility. In ancient times, it can be used as an organic solvent to dissolve resins, oils, etc., to assist in the preparation of paints, inks, etc., to disperse pigments evenly and improve the application effect.
4-methylbenzenesulfonic anhydride (1:1) is acidic and reactive. In ancient times, it could be used to catalyze certain organic reactions, although there was no modern concept of catalysis at that time, but in some natural product conversions, its catalytic properties were unconsciously used to promote reactions, such as promoting certain esterification reactions, for the preparation of fragrances or special oils.
What are the physical properties of N- [4- [2- (2-amino-4,7-dihydro-4-oxo-3H-pyrrolido [2,3-d] pyrimidine-5-yl) ethyl] benzoyl] -L-glutamic acid, 1,5-diethyl ester, 4-methylbenzenesulfonate (1:1)
This substance is named N- [4- [2- (2-amino-4,7-dioxo-4-oxo-3H-pyrrolido [2,3-d] pyrimidine-5-yl) ethyl] benzyl] -L-glutamine, 1,5-diethylnaphthalene, 4-methylbenzylidene sorbitol (1:1), which has the following physical properties:
- ** Appearance and Properties **: Usually white to off-white crystalline powder with fine texture. This appearance characteristic is common in many organic compounds and is often used as an important basis for preliminary identification.
- ** Solubility **: There are differences in solubility in water and common organic solvents. The solubility in water is limited, and it is slightly soluble in cold water. This is due to the fact that there are both polar groups (such as amino and amide groups) and large non-polar parts (such as naphthyl, benzyl, etc.) in the molecular structure. The interaction between the polar part and the water molecule is not enough to overcome the obstacle of the non-polar part to dissolution; in some organic solvents such as ethanol and acetone, the solubility is slightly better, and a uniform dispersion system can be formed, which provides a reference for its preparation or reaction solvent selection.
- ** Melting point and boiling point **: The melting point is in a specific temperature range, generally around 200-220 ° C. The determination of the melting point is of great significance for determining the purity and identification of the substance. The melting point range of substances with higher purity is narrower and close to the theoretical value; the boiling point is relatively high, which is related to the interaction of hydrogen bonds and van der Waals forces between molecules. The strong intermolecular force makes the gasification of substances require higher energy.
- ** Density and stability **: The density is relatively moderate and remains stable under normal conditions. However, it should be noted that under special conditions such as high temperature, high humidity or strong acid and alkali, the molecular structure may change, such as amide bond hydrolysis, amino protonation, etc., which affects its chemical purity and biological activity. Therefore, these unfavorable conditions should be avoided when storing.
What is the synthesis method of N- [4- [2- (2-amino-4,7-dihydro-4-oxo-3H-pyrrolo [2,3-d] pyrimidine-5-yl) ethyl] benzoyl] -L-glutamic acid, 1,5-diethyl ester, 4-methylbenzene sulfonate (1:1)
To prepare N - [4 - [2 - (2 - hydroxy - 4,7 - dioxide - 4 - oxo - 3H - imidazolo [2,3 - d] pyrimidine - 5 - yl) ethyl] benzyl] - L - glutamic acid, 1,5 - diethylbenzene, 4 - methylbenzenesulfonic anhydride (1:1), the method is as follows:
First, prepare the required raw materials to ensure that the purity and quality of each raw material meet the experimental requirements. In a suitable reaction vessel, according to a specific ratio, the relevant starting materials are placed in it in sequence. In the reaction system, specific catalysts and solvents may be added to promote the smooth progress of the reaction.
The control of reaction conditions is crucial, and the temperature, pressure and time of the reaction are precisely regulated. The temperature may be maintained at a certain range to ensure that the reaction is neither too violent nor too slow. The control of pressure depends on the characteristics of the reaction, either at normal pressure or in a specific pressurized environment. The reaction time needs to be strictly recorded, and it should be stopped in time according to the monitoring of the reaction process.
During the reaction process, a variety of analytical methods can be used to monitor the reaction, such as thin chromatography, high performance liquid chromatography, etc., to detect the consumption of raw materials and the formation of products. When the reaction reaches the expected level, appropriate separation and purification methods are applied. Or by extraction, filtration, column chromatography, etc. to obtain a pure target product. After separation and purification, the product was comprehensively characterized and analyzed, and the structure and purity of the product were confirmed by nuclear magnetic resonance, mass spectrometry, infrared spectroscopy and other techniques to ensure that it conformed to the expected N - [4 - [2 - (2 - hydroxy - 4,7 - oxo - 4 - oxo - 3H - imidazolo [2,3 - d] pyrimidine - 5 - yl) ethyl] benzyl] - L - glutamic acid, 1,5 - diethylbenzene, 4 - methylbenzenesulfonic anhydride (1:1) structure and composition.
N- [4- [2- (2-amino-4,7-dihydro-4-oxo-3H-pyrrolo [2,3-d] pyrimidine-5-yl) ethyl] benzoyl] -L-glutamic acid, 1,5-diethyl ester, 4-methylbenzene sulfonate (1:1) What are the precautions during use
This substance is named N- [4- [2- (2-hydroxy-4,7-dioxo-4-oxo-3H-phenylazino [2,3-d] pyrimidine-5-yl) ethyl] benzenesulfonyl] -L-glutamic acid, 1,5-diethyl ester, 4-methylbenzenesulfonate (1:1), the use of the following matters should be noted:
First, because of its complex chemical structure, composed of multiple specific groups, different groups will exhibit different chemical properties and reactivity. When mixing with other chemical reagents or participating in chemical reactions, it is necessary to fully consider the potential interactions between each group and possible side reactions. For example, the hydroxyl group may participate in esterification and etherification reactions, and the oxo group on the pyrimidine ring may affect the check point and rate of nucleophilic substitution reactions.
Second, pay close attention to its solubility. The compound contains a variety of polar and non-polar groups, and its solubility in different solvents may vary significantly. Before use, its solubility in a specific solvent needs to be accurately determined to ensure the uniformity of the reaction system, or to enable the product to be effectively separated and purified. For example, if the reaction needs to be carried out in an organic solvent, it is necessary to prioritize the screening of solvents such as dichloromethane, N, N-dimethylformamide, etc. that may be compatible with it according to their structural characteristics.
Third, the stability should not be underestimated. Some groups contained in this compound, such as hydroxyl groups, ester groups, etc., may decompose, hydrolyze and other reactions under specific conditions, such as high temperature, high humidity or strong acid and alkali environment, thus affecting its chemical properties and efficacy. When storing, it should be strictly in accordance with the specified conditions, usually in a dry, cool and dark place to maintain its stability.
Fourth, since it is an organic compound, some people may have allergic reactions to it. During operation, personal protective measures must be taken, such as wearing gloves, protective glasses and masks, to avoid skin contact, inhalation or accidental ingestion to ensure the personal safety of the operator. In case of accidental contact, it should be dealt with immediately according to the corresponding first aid measures.