2-Naphthalenesulfonic acid, 7- ((4,6-dichloro-1,3,5-triazine-2-yl) amino) -4-hydroxy-3- (2- (2-sulfophenyl) azo) - what is the chemical structure
This is a question about chemical structure. The substance involved is a complex organic compound composed of multiple specific groups. To clarify its chemical structure, it is necessary to analyze in detail according to the basic rules and nomenclature of organic chemistry.
First look at the "2-carboxyl group", which shows that there is a carboxyl group (-COOH) attached to the second carbon atom of the main chain. The carboxyl group is an acidic functional group, which has a great influence on the chemical properties of the compound.
"7- ((4,6-dioxo-1,3,5-triazine-2-yl) amino group) ", this part shows that a complex substituent is connected to the seventh carbon atom. Among them, "4,6-dioxy-1,3,5-triazine" is a six-membered heterocycle containing three nitrogen atoms and three carbon atoms, and there are two oxygen atoms substituted at positions 4 and 6; "2-ylamino" means that the amino group is connected to the 7th carbon atom of the main chain after connecting to the second nitrogen atom of the triazine ring.
"4-fluoro" means that the 4th carbon atom of the main chain is connected with a fluorine atom (-F), and the fluorine atom is highly electronegative, which will affect the molecular polarity and reactivity.
"3- (2- (2-thiylbenzyl) carbonyl) ", which is the substituent connected to the carbon atom at the 3rd position. "2-thiylbenzyl" means that the benzyl (benzyl) ring ortho-position is substituted with a thio group, and "carbonyl" (C = O) connects this complex group to the main chain.
By combining the above parts, the chemical structure of the compound can be roughly outlined. The carbon atoms of the main chain are numbered in sequence, and each specific group is connected to the main chain in the corresponding position, forming the unique chemical structure of this complex organic compound. However, due to the inability to visualize graphs, the relative positions and connection relationships of each group can only be described in detail by text, so as to present a summary of its chemical structure.
What are the physical properties of 2-naphthalenesulfonic acid, 7- ((4,6-dichloro-1,3,5-triazine-2-yl) amino) -4-hydroxy-3- (2- (2-sulfophenyl) azo) -
2-% carboxyl, 7- ((4,6-dioxy-1,3,5-triazine-2-yl) amino) -4-fluoro-3- (2- (2-carboxybenzyl) carbonyl) substance, its physical properties are as follows:
This compound has a certain acidity due to its carboxyl group, and can neutralize with bases to generate corresponding carboxylic salts and water. The carbonyl group in the carboxyl group is conjugated with the hydroxyl group, which reduces the electron cloud density on the carboxylic carbon, making it more susceptible to attack by nucleophiles. It can participate in a variety of reactions in organic synthesis, such as esterification reactions, which react with alcohols under acid catalysis to form esters and water, changing the physical and chemical properties of the compound, such as improving fat solubility and affecting its solubility in different solvents.
The fluorine group in the molecule brings unique properties to the compound. Fluorine atoms have high electronegativity and high C-F bond energy, which make fluorine-containing compounds usually have high stability and chemical inertness. Due to the small radius of fluorine atoms, the introduction of fluorine groups can change the distribution and spatial structure of molecular electron clouds, and affect the polarity, solubility and biological activity of compounds. In medicinal chemistry, fluorine-containing compounds often exhibit unique pharmacological activities, and the fluorine groups in this compound may affect their ability and selectivity to bind to biological targets.
The structure of 4,6-dioxy-1,3,5-triazine partially imparts certain rigidity and planarity to the compound, which affects the intermolecular interactions, such as the melting point, boiling point and crystal structure of the compound through π-π stacking. The nitrogen atom in this structure can act as a hydrogen bond receptor, forming hydrogen bonds with molecules or groups containing hydrogen donors, which affects the solubility and biological activity of the compound.
2- (2-carboxylbenzyl) carbonyl moiety, benzyl has certain hydrophobicity, which affects the solubility of the compound in water and organic solvents, and tends to enhance its solubility in organic solvents. Carbonyl has strong polarity, which increases the dipole moment of the molecule, enhances the intermolecular force, and affects the physical properties such as melting point and boiling point.
Overall, this compound presents complex and unique physical properties due to the coexistence of various functional groups, and may have potential application value in organic synthesis, drug development and other fields.
2-Naphthalenesulfonic acid, 7- ((4,6-dichloro-1,3,5-triazine-2-yl) amino) -4-hydroxy-3- (2- (2-sulfophenyl) azo) - What is the main use of
2-% carboxyl, 7- ((4,6-dihydroxy-1,3,5-triazine-2-yl) amino) -4-chloro-3- (2- (2-oxoethyl) carbonyl) benzoic acid, which is an important intermediate in the field of organic synthesis, and has key uses in pharmaceutical chemistry, materials science and other fields.
In the field of medicinal chemistry, it is mainly used as a key building block for the synthesis of drug molecules with specific structures. Because the compound contains a variety of active functional groups, such as carboxyl, amino, hydroxyl and carbonyl, these functional groups can be chemically reacted with other molecular fragments to construct drug molecules with complex structures and specific biological activities. For example, carboxyl groups can participate in esters and amides reactions, interact with specific groups of drug targets, and enhance drug affinity and activity; while the triazine ring structure may endow drugs with special biological activities or improve their pharmacokinetic properties. In the research and development of many antibacterial, antiviral and anti-tumor drugs, based on such intermediates, drugs with significant efficacy have been successfully developed through rational design and modification.
In the field of materials science, this compound can be used to synthesize functional polymer materials. Because it contains multiple reactive functional groups, it can participate in polymerization reactions as a cross-linking agent or monomer to prepare polymer materials with special properties. For example, by using it to polymerize with other active group-containing monomers, smart materials with recognition or response properties to specific substances can be prepared; or they can be introduced into polymer segments to improve the solubility, thermal stability and mechanical properties of materials, etc., showing broad application prospects in the preparation of sensors, separation membranes and other materials.
2-Naphthalenesulfonic acid, 7- ((4,6-dichloro-1,3,5-triazine-2-yl) amino) -4-hydroxy-3- (2- (2-sulfophenyl) azo) - What is the preparation method
To prepare a compound of 2-carboxyl, 7- ((4,6-dioxy-1,3,5-triazine-2-yl) amino) -4-fluoro-3- (2- (2-carboxybenzyl) carbonyl), the method is as follows:
First take an appropriate amount of starting material, which is related to the 2-carboxyl group related structure part, and find a suitable compound containing carboxyl group as the starting base. For the 7- ((4,6-dioxy-1,3,5-triazine-2-yl) amino) structure, when constructed with appropriate reaction steps. The 4,6-dioxy-1,3,5-triazine-2-derivative can be prepared first, and then the amino moiety can be accessed through an amination reaction to form a 7- ((4,6-dioxy-1,3,5-triazine-2-yl) amino) structure.
As for the 4-fluoro moiety, fluorine-containing reagents can be selected. Under suitable reaction conditions, fluorine atoms can be introduced to a predetermined position by means of substitution reactions.
3- (2- (2-carboxylbenzyl) carbonyl) is constructed by modifying the benzyl group first, introducing a carboxyl group at its 2-position, and then connecting with the carbonyl group through a suitable reaction, such as acylation reaction, to form the desired structural fragment.
During the whole preparation process, it is necessary to pay attention to the conditions of each step of the reaction, such as temperature, pH, reaction time, etc. Too high or too low temperature may affect the rate of the reaction and the purity of the product; inappropriate pH will also cause the reaction to be biased towards side reactions. The control of the reaction time is also the key. If it is too short, the reaction will be incomplete, and if it is too long, it may lead to over-reaction and generate unnecessary by-products. And each step of the reaction is completed, the product should be separated and purified to ensure the purity of the raw materials for the next reaction. Only in this way can the target compound of 2-carboxyl, 7- ((4,6-dioxy-1,3,5-triazine-2-yl) amino) -4-fluoro-3- (2-carboxybenzyl) carbonyl) be prepared efficiently and with high quality.
2-Naphthalenesulfonic acid, 7- ((4,6-dichloro-1,3,5-triazine-2-yl) amino) -4-hydroxy-3- (2- (2-sulfophenyl) azo) - What are the precautions during use
2-% carboxyl group, 7- ((4,6-dihydroxy-1,3,5-triazine-2-yl) amino) -4-fluoro-3- (2- (2-aldehyde benzyl) carbonyl), there are several issues that need careful attention during the use of this substance.
First, it concerns its chemical activity. 2-carboxyl groups have acidic properties and can neutralize with alkali substances under specific conditions, and can also participate in esterification reactions. The 7-position substituent contains dihydroxy and triazine structures, which give it a certain electron cloud distribution and reactivity, or interact with electrophilic and nucleophiles. The 4-fluorine gene has extremely high electronegativity of the fluorine atom, which can significantly affect the polarity and chemical reactivity of the molecule, making the chemical bonds connected to it more prone to dissociation. In the reaction, it either acts as a leaving group or affects the reactivity of neighboring groups. The 3-position (2- (2-aldehyde benzyl) carbonyl) part has high chemical activity of the aldehyde group, and is prone to oxidation, reduction, nucleophilic addition and other reactions, such as forming acetals with alcohols and Schiff bases with amines. Therefore, when using, it is necessary to strictly control the pH, temperature, and ratio of reactants of the reaction system according to the specific reaction conditions and the expected product, in order to prevent unnecessary side reactions.
The second is about stability. Different functional groups in the compound interact with each other, or cause its stability to change. Environmental factors such as high temperature, high humidity, and light may affect its structure. The aldehyde group is exposed to light or high temperature, or self-oxidation occurs; while the nitrogen-containing triazine structure is exposed to strong acid and alkali environments, or degradation reactions such as hydrolysis occur. Therefore, when storing, it is necessary to choose a dry, cool, and dark place, and its appearance and purity should be checked before use. If there are signs of deterioration, it must not be used.
Third, discuss safety. Some functional groups may have certain toxicity and irritation. Such as fluorine-based compounds, some can have toxic effects on organisms, contact with the skin, eyes, or inhalation of their volatiles, or cause discomfort or even damage. The aldehyde compounds also have a pungent odor, which is irritating to the respiratory tract and skin. Be sure to take protective measures when operating, such as wearing gloves, goggles, masks, etc., and ensure that the operation is carried out in a well-ventilated environment, avoiding direct contact and inhalation.