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What is the chemical structure of 7H-Oxazolo [3,2-a] pyridine-6-carboxylic acid, 2,3,8,8a-tetrahydro-5- (4-nitrophenyl) -3-phenyl-, ethyl ester, (3R, 8aR) -?
This is the naming of an organic compound. In order to clarify its chemical structure, it is necessary to gradually analyze it according to the naming rules. " (3R, 8aR) -" Chiral configuration specifies the spatial arrangement of specific atoms. "7H - Oxazolo [3,2 - a] pyridine - 6 - carboxylic acid", revealing that the core of the compound is a nitrogen-containing heterocycle, composed of azolo pyridine, and has a hydrogen atom at position 7 and a carboxylic group at position 6.
"ethyl ester", showing that it is an ester compound formed by carboxylic acid and ethanol, that is, the carboxyl group is esterified with ethanol to form an ester group. " 2,3,8,8A - tetrahydro - 5- (4 - nitrophenyl) -3 - phenyl - ", indicating that it is reduced by hydrogen atoms at the 2,3,8,8a positions, with p-nitrophenyl at the 5th position and phenyl at the 3rd position.
In summary, the chemical structure of this compound is based on oxazopyridine as the core, ester group at the 6th position, hydrogenated at the 2,3,8,8a position, p-nitrophenyl at the 5th position, phenyl at the 3rd position, and has a specific chiral configuration at the 3,8a position. Its complex structure and the interaction of various groups endow the compound with unique chemical properties.
7H-Oxazolo [3,2-a] pyridine-6-carboxylic acid, 2,3,8,8a-tetrahydro-5- (4-nitrophenyl) -3-phenyl-, ethyl ester, (3R, 8aR) - What are the physical properties?
This is an organic compound named (3R, 8aR) -2,3,8,8a-tetrahydro-5- (4-nitrophenyl) -3-phenyl-7H-oxazolo [3,2-a] pyridine-6-carboxylate ethyl ester. It has many physical properties, and let me explain them one by one.
The solubility of this compound is very important in the performance of organic solvents. This compound exhibits a certain solubility in common organic solvents such as dichloromethane, chloroform, and tetrahydrofuran. This property is derived from the benzene ring, nitro, and ester groups contained in its molecular structure. The benzene ring is a non-polar structure, giving it a certain lipophilicity; although the nitro group is polar, it works synergistically with the overall molecular structure to make the compound better dispersed in organic solvents. The existence of ester groups also affects the solubility, which can form intermolecular forces with organic solvents, and then dissolve the compound.
When it comes to the melting point, the exact value of the melting point of this compound is closely related to the intermolecular interaction. The benzene ring, nitro and other groups present in the molecule stabilize the molecular arrangement through the interaction of π-π stacking, hydrogen bonds and van der Waals forces. The π-π stacking between the benzene rings makes the molecules closely arranged and enhances the intermolecular attraction; the polarity of the nitro group can participate in the formation of hydrogen bonds or other polar interactions, further enhancing the intermolecular binding force. These interactions require high energy for compounds to destroy the lattice structure, so the melting point is relatively high.
In terms of boiling point, the boiling point of a compound depends on the strength of the intermolecular forces. Due to the large molecular structure and the existence of various interactions, the intermolecular forces are strong. To transform a compound from a liquid state to a gaseous state, it is necessary to provide enough energy to overcome these forces. Therefore, its boiling point is quite high, reflecting the degree of bonding between molecules.
As for the density, due to the relatively heavy atomic groups such as benzene ring, nitro group and ester group in the molecule, the density of these atomic groups is higher than that of some simple organic compounds. The atomic weight of these atomic groups is large, and the molecular structure is compact, and the mass per unit volume increases, so they exhibit a higher density. The above are all important physical properties of this compound, which are of critical significance for its application in organic synthesis, drug development, and other fields.
What is the synthesis method of 7H-Oxazolo [3,2-a] pyridine-6-carboxylic acid, 2,3,8,8a-tetrahydro-5- (4-nitrophenyl) -3-phenyl-, ethyl ester, (3R, 8aR) -?
The method of synthesis of this compound needs to follow specific steps according to chemical theory. Start with suitable starting materials, such as pyridine, oxazole and related aromatic hydrocarbon derivatives with specific substituents.
Initially, nitrobenzene derivatives and active pyridine precursors are reacted with nucleophilic substitution or cyclization under suitable reaction conditions, either catalyzed by bases or heated in specific solvents, so that they undergo nucleophilic substitution or cyclization to form pyridine intermediates containing nitrophenyl groups.
Then, phenyl groups are introduced, and arylation reactions can be carried out. For example, suitable palladium catalysts, ligands and bases are selected to couple phenyl halides to intermediates. This reaction requires precise temperature control and reaction time to maintain selectivity. < Br >
Then with a suitable reducing agent, under mild conditions, reduce the nitro group to an amino group, or use catalytic hydrogenation, or use a chemical reducing agent, such as a combination of metal and acid, but pay attention to the effect on other functional groups.
As for the construction of oxazole rings, the intramolecular cyclization reaction can be used to form oxazole rings with intermediates with specific functional groups, catalyzed by acids or bases, and condensed intramolecular to form oxazole rings.
Finally, the obtained carboxylic acid intermediate is esterified with ethanol under acid catalysis, or reacted with acid chloride and ethanol in the presence of base to obtain the target product (3R, 8aR) -2,3,8,8a -tetrahydro-5- (4-nitrophenyl) -3-phenyl-7H-oxazolo [3,2-a] pyridine-6-carboxylic acid ethyl ester. Throughout the synthesis process, it is necessary to observe the conditions of each step of the reaction and purify the product to achieve the expected purity and yield.
7H-Oxazolo [3,2-a] pyridine-6-carboxylic acid, 2,3,8,8a-tetrahydro-5- (4-nitrophenyl) -3-phenyl-, ethyl ester, (3R, 8aR) - In what fields is it used?
Eh! This is a derivative of 7H-oxazolo [3,2-a] pyridine-6-carboxylic acid, full name 2,3,8,8a-tetrahydro-5- (4-nitrophenyl) -3 -phenyl-, ethyl ester, (3R, 8aR) -. This compound has its uses in various fields.
In the context of pharmaceutical research and development, it may be a key raw material for the creation of new drugs. Due to its unique molecular structure, it may be able to bind to specific biological targets, such as certain protein receptors, enzymes, etc. Or it can be used to develop therapeutic drugs for specific diseases, such as anti-cancer drugs, to precisely intervene in the growth and proliferation mechanism of cancer cells; or it can be used for drugs for neurological diseases to help repair abnormal nerve conduction.
In the field of materials science, it may be used to prepare materials with special functions. Because its structure contains specific groups, it may impart special optical and electrical properties to the material. For example, it is used to prepare photochromic materials, under different lighting conditions, the color and optical properties of the material can change, and it is used in smart windows, anti-counterfeiting labels and other fields; or it is used to prepare materials with special electrical conductivity and is used in the manufacture of electronic devices.
In the field of organic synthetic chemistry, it is an important synthetic intermediate. With its unique structure, it can introduce different functional groups through various organic reactions, such as nucleophilic substitution, electrophilic addition, etc., expand the synthesis route, and prepare more complex and functional organic compounds, which contribute to the development of organic synthetic chemistry.
7H-Oxazolo [3,2-a] pyridine-6-carboxylic acid, 2,3,8,8a-tetrahydro-5- (4-nitrophenyl) -3-phenyl-, ethyl ester, (3R, 8aR) - What is the market outlook?
Looking at this 7H-Oxazolo [3,2-a] pyridine - 6 - carboxylic acid, 2,3,8,8a - tetrahydro - 5 - (4 - nitrophenyl) -3 - phenyl -, ethyl ester, (3R, 8aR) -, the market prospect is related to many parties.
In today's world, the field of pharmaceutical and chemical industry is booming. This substance may be used in organic synthesis as a key intermediate, and its unique chemical structure may pave the way for the creation of new drugs. If it can be used to develop specific drugs for specific diseases, with outstanding efficacy, it will be able to win a place in the pharmaceutical market, and it will be favored by doctors and patients. The prospect is limitless.
In the field of materials science, it is also possible. Its structural characteristics may endow materials with novel properties, such as special optical and electrical properties. Over time, if breakthroughs can be made in this field and applied to high-tech materials to meet the needs of the electronics and optical industries, the market potential is limitless.
However, it also faces challenges. The synthesis process may be complex and cumbersome, the cost remains high, limiting large-scale production and marketing activities. And the market competition is fierce, and similar substitutes may emerge one after another. To emerge in the market, we must overcome technical problems, reduce costs and increase efficiency, and improve quality in order to gain a firm foothold in the ever-changing market and seek long-term development.