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2-Pyridinecarboxylic acid, 1- [ (1,1-dimethylethoxy) carbonyl] amino] -1,4-dihydro-4-oxo-3- (phenylmethoxy) -, methyl ester What is the chemical structure
"2 - Pyridinecarboxylic acid, 1- [[ (1,1 - dimethylethoxy) carbonyl] amino] -1,4 - dihydro - 4 - oxo - 3 - (phenylmethoxy) -, methyl ester" is the name of organic chemistry. Its chemical structure is described in the ancient style of "Tiangongkai" as follows:
This compound is based on pyridine, at the second position of pyridine, connected to the ester group of carboxylic acid, and is a methyl ester. One is located on the carbon connected to the nitrogen atom of pyridine, and a functional group is derived. In this functional group, there is an amino group, and on the amino group, there is a structure modified by tert-butoxy carbonyl, that is, [ (1,1-dimethylethoxy) carbonyl] amino. In the third position of the pyridine ring, there is a benzyloxy group, that is, phenylmethoxy. The fourth position of the pyridine ring is a carbonyl group, and this carbonyl group and the linked carbon are in a double bond state, in the state of 1,4-dihydro-4-oxy.
In summary, the chemical structure of this compound, with the pyridine ring as the core, is connected with methyl ester, benzyloxy, and tert-butoxy carbonyl amino groups in the second, third, and first positions respectively, and the fourth position is a carbonyl group, showing a unique chemical structure.
2-Pyridinecarboxylic acid, 1- [ (1,1-dimethylethoxy) carbonyl] amino] -1,4-dihydro-4-oxo-3- (phenylmethoxy) -, methyl ester What are the main uses
2-Pyridinecarboxylic acid, 1- [ (1,1-dimethylethoxy) carbonyl] amino] -1,4-dihydro-4-oxo-3- (phenylmethoxy) -, methyl ester is widely used. In the field of medicinal chemistry, it is often an intermediate in organic synthesis. Its structure is special, and the functional groups it contains can be converted through various chemical reactions to assist in the construction of complex drug molecules. For example, in the synthesis of some anti-inflammatory and antibacterial drugs, with its pyridine ring and ester group structure, it can be cleverly spliced with other compounds, and through a series of reactions, it can generate substances with specific pharmacological activities. < Br >
In the field of materials science, or can participate in the preparation of functional materials. With its chemical activity, it can be copolymerized with other monomers, giving the material special properties, such as changing the solubility and thermal stability of the material. For example, when designing smart materials sensitive to specific environmental factors, the structural properties of this compound may play a key role, making it unique in the field of materials.
Furthermore, in the field of organic catalysis, some of its structures may provide catalytic activity check points and play a catalytic role in specific chemical reactions. Due to the electron cloud distribution and spatial arrangement of different atoms in its structure, it can interact with the reactant molecules, reduce the activation energy of the reaction, improve the reaction rate and selectivity, and thus play an important role in the catalytic process of organic synthesis reactions.
2-Pyridinecarboxylic acid, 1- [ (1,1-dimethylethoxy) carbonyl] amino] -1,4-dihydro-4-oxo-3- (phenylmethoxy) -, methyl ester What is the synthesis method
The synthesis of 2-pyridinecarboxylic acid, 1- [ (1,1-dimethylethoxy) carbonyl] amino] -1,4-dihydro-4-oxo-3- (phenylmethoxy) -, methyl esters is an important task in organic synthesis. The synthesis method often follows a number of paths.
First, pyridine can be taken as the group first, and a carboxyl group can be introduced into the 2-position of pyridine through a specific reaction to obtain 2-pyridinecarboxylic acid. However, this carboxyl group needs to be protected against interference from subsequent reactions. Here, the carboxyl group is often converted into the form of methyl ester by the method of methylation. < Br >
Second, for the structure of the 1-position in the target product. To introduce [[ (1,1-dimethylethoxy) carbonyl] amino], appropriate reagents can be selected, such as active compounds containing (1,1-dimethylethoxy) carbonyl, under suitable reaction conditions with pyridine derivatives, such as in a specific base and solvent environment, through nucleophilic substitution and other reactions, this group is connected to the 1-position.
Furthermore, the 3-position needs to be introduced (phenylmethoxy). The 3-position can be connected to the phenylmethoxy group by a nucleophilic substitution reaction between halogenated pyridine derivatives and phenylmethanol under base catalysis. The 4-position oxygen substitution structure may be achieved by oxidation reaction. Select a suitable oxidizing agent and oxidize the 4-position of the corresponding intermediate to carbonyl in an appropriate reaction system.
The whole process of synthesis requires fine control of reaction conditions, such as temperature, reaction time, and the proportion of reactants. If the temperature is too high or side reactions are clustered, if it is too low, the reaction rate will be delayed. The proportion of reactants is inappropriate, and it is difficult to obtain the ideal yield. And after each step of the reaction, it is necessary to separate and purify the technique to remove impurities and ensure the purity of the intermediate, so that the subsequent reaction is smooth, and finally a high-purity 2-pyridinecarboxylic acid, 1- [ (1,1 -dimethylethoxy) carbonyl] amino] -1,4 -dihydro-4-oxo-3- (phenylmethoxy) -, methyl ester.
2-Pyridinecarboxylic acid, 1- [ (1,1-dimethylethoxy) carbonyl] amino] -1,4-dihydro-4-oxo-3- (phenylmethoxy) -, methyl ester What are the physical and chemical properties
2-Pyridinecarboxylic acid, 1- [ (1,1-dimethylethoxy) carbonyl] amino] -1,4-dihydro-4-oxo-3- (benzoxy) -, methyl ester This substance has many physical and chemical properties. Its appearance may be in a specific form, or it may be a crystalline solid, or it may have a certain color, but the specifics depend on experimental observations.
On solubility, this substance may behave differently in a specific organic solvent. In common organic solvents, such as ethanol, ether, etc., or according to the characteristics of the groups contained in their molecular structures, they appear to be either soluble or insoluble. Because its molecules contain ester groups, pyridine rings and other structures, ester groups have certain lipophilic properties, or have good solubility in some organic solvents; pyridine rings also affect their solubility.
Its melting point and boiling point are also important physical properties. The melting point is related to the magnitude of the intermolecular force. There are interactions such as van der Waals force and hydrogen bonds between the molecules of this compound, which cause it to change from solid to liquid at a specific temperature. This temperature is the melting point, but the exact value needs to be accurately determined by experiments. The boiling point reflects the energy required to convert from liquid to gaseous state. Due to the complexity of the molecular structure, the boiling point also has its specific value.
In terms of chemical properties, due to the presence of ester groups, hydrolysis can occur. Under acidic or basic conditions, the ester group breaks to form corresponding acids and alcohols. And the nitrogen atom on the pyridine ring has a certain alkalinity and can react with acids to form salt compounds. And because it contains groups such as phenylmethoxy, it can participate in many organic chemical reactions such as substitution reactions, showing a variety of chemical activities.
2-Pyridinecarboxylic acid, 1- [[ (1,1-dimethylethoxy) carbonyl] amino] -1,4-dihydro-4-oxo-3- (phenylmethoxy) -, methyl ester What is the price in the market?
Today, there are 2-pyridinecarboxylic acid, 1- [ (1,1-dimethylethoxy) carbonyl] amino] -1,4-dihydro-4-oxo-3- (phenylmethoxy) -, methyl ester. What is the price on the market?
Although I have not personally seen this product in the market, I want to guess its price, when looking at all the reasons. First, the synthesis of this product is difficult and easy. If the synthesis road is tortuous, rare materials are required, and after complicated steps and a lot of manpower and material resources, the price will be high. Second, the state of supply and demand is also due to the fact that if there are many people in need and few people in supply, the price should rise; if the supply exceeds the demand, the price may decline. Third, in the market, there are many such things, and if there are many alternatives, the price is also controlled by it.
As far as I know, if these organic compounds with special structures are used in important places such as fine chemicals and pharmaceutical research and development, and the synthesis is difficult, the raw materials are rare, and the price per gram may be hundreds of gold, or even higher. However, if the synthesis method is gradually simpler, the raw materials are easily available, and the market supply is sufficient, the price may be reduced to tens of gold per gram.
However, the market situation is ever-changing, and the price is also impermanent. If you want to know the exact number, you can get the true price when you visit the city of chemical raw materials and consult the merchants.