7 4s 4 Amino 6 Azaspiro 2 4 Heptan 6 Yl 8 Chloro 6 Fluoro 1 2s 2 Fluorocyclopropyl 4 Oxo Quinoline 3 Carboxylic Acid Hydrate
Quinoline Thiophene Imidazole Thiazole
7-[(4S)-4-amino-6-azaspiro[2.4]heptan-6-yl]-8-chloro-6-fluoro-1-[(2S)-2-fluorocyclopropyl]-4-oxo-quinoline-3-carboxylic acid hydrate
Chemical Name 7-[(4S)-4-amino-6-azaspiro[2.4]heptan-6-yl]-8-chloro-6-fluoro-1-[(2S)-2-fluorocyclopropyl]-4-oxo-quinoline-3-carboxylic acid hydrate
Molecular Formula C20H20ClF2N3O4·xH2O
Molecular Weight 425.84 (anhydrous, approximate, without considering water of hydration)
Melting Point Unknown
Boiling Point Unknown
Solubility Unknown
Pka Unknown
Logp Unknown
Stability Unknown
Crystal Structure Unknown
Uv Absorption Unknown
FAQ

What is the chemical structure of 7- [ (4S) -4-amino-6-azospiral [2.4] heptane-6-yl] -8-chloro-6-fluoro-1- [ (2S) -2-fluorocyclopropyl] -4-oxyquinoline-3-carboxylic acid hydrate

Although there is no direct description of this problem in "Tiangong Kaiwu", according to modern chemical knowledge, the structure of this compound can be explained as follows:

This compound is complex and contains a variety of groups. " ( 4S) -4-amino-6-heteronaphthalene [2.4] pyridine-cat-6-yl ", in this part" (4S) "represents a specific stereoconfiguration," 4-amino "indicates that there is an amino group (-NH2O) substitution at the 4th position," 6-heteronaphthalene [2.4] pyridine-cat-6-yl "is a complex cyclic structure, and the naphthalene ring in the heteronaphthalene is fused with the pyridine ring, and there are specific atomic numbers and substitution methods.

" (2S) -2 -Epoxypropyl", " (2S) " is a three-dimensional configuration, and epoxypropyl (-CH (CH) 2O - CH (CH) O) -) has a ternary ring structure and high chemical activity.

"8-Bromo-6-Chloro-1 -" part indicates that there is a substitution of bromine (Br) and chlorine (Cl) atoms at the corresponding position of the main structure.

"4-oxo square light" part, "oxo" means carbonyl (C = O), "square light" may refer to a specific aromatic ring or a structural unit with photoactivity.

"3-carboxylic acid hydrate" indicates that it contains a carboxyl group (-COOH) and forms a hydrate with water.

Overall, this compound has a complex structure, with a variety of functional groups and special structural units. Amino groups are basic, epoxy propyl groups can undergo ring-opening reactions, halogen atoms can undergo nucleophilic substitution, carbonyl groups are electrophilic, and carboxylic groups are acidic. These functional groups interact with each other and endow the compound with unique chemical properties. Due to its complex structure, it may have potential research value and application prospects in the fields of organic synthesis and medicinal chemistry.

What are the physical properties of 7- [ (4S) -4-amino-6-azospiral [2.4] heptane-6-yl] -8-chloro-6-fluoro-1- [ (2S) -2-fluorocyclopropyl] -4-oxyquinoline-3-carboxylic acid hydrate

Although the complex chemical substance is not directly described in "Tiangong Kaiji", its physical properties can be investigated according to chemical principles.

This substance contains many complex groups and structures. Among them, the structures of (4S) -4 -amino-6 -xanazin [2.4] quinoline-6 -group endow it with certain stability and special spatial configuration. From the whole, because it contains a variety of polar groups, such as amino groups, hydroxyl groups, etc., it is speculated that it may have certain solubility in polar solvents, because polar groups can form hydrogen bonds with water molecules and other interactions.

Furthermore, the presence of 8-bromo-6-chloro-1- (2S) -2-chlorocyclopropyl and other halogenated groups will affect the intermolecular force and cause the melting boiling point to change. Usually the melting boiling point of halogenated hydrocarbons is higher than that of corresponding hydrocarbons, so the melting boiling point of the substance may not be low. And the presence of halogenated groups enhances the polarity of the molecule, which also affects the solubility. In some organic solvents, the solubility may be better.

And because it contains the 4-oxo-3-carboxylic acid hydrate part, the carboxyl group is acidic and can be partially ionized in water, showing certain acid-related properties. The hydrate structure will affect the stability and hygroscopicity of the substance, or easily absorb moisture from the air to maintain its hydrated state. Overall, the substance is rich in physical properties due to its complex structure, and will exhibit different characteristics such as dissolution, melting and boiling point, and moisture absorption in different environments.

What is the use of 7- [ (4S) -4-amino-6-azospiral [2.4] heptane-6-yl] -8-chloro-6-fluoro-1- [ (2S) -2-fluorocyclopropyl] -4-oxyquinoline-3-carboxylic acid hydrate

Among the numerous processes and products involved in "Tiangong Kaiwu", although it is difficult to directly correspond to the original text for the description of such complex chemical substances as you mentioned, it can be deduced according to the cognition and practice logic of the ancients.

The substances mentioned in the text seem to be a mixture of various chemicals or a series of reaction products. From an ancient perspective, although there is no modern precise chemical analysis, clues can be found according to the use and characteristics.

"3-carboxylic acid hydrate", in ancient times, such substances may be related to many processes. In the dyeing process, some plants or minerals are soaked, boiled, etc., which will produce a liquid containing carboxylic acids, which can help the dye better adhere to the fabric, making the dyeing firm and bright. Like madder dyeing, similar carboxylic acid-containing components may participate in the reaction during the process to optimize the dyeing effect.

In leather tanning, carboxylic acid hydrate may also play a role. The ancient people used vegetable tanning agents, some of which were hydrolyzed, etc., may produce carboxylic acid hydrate-like substances, which combine with proteins in leather to make leather soft and durable and prevent rot.

Furthermore, in the field of brewing, microbial metabolism during fermentation may also produce carboxylic acid-containing substances, which affect the fermentation process and product flavor. For example, when making wine, appropriate carboxylic acid substances can adjust acidity, promote the normal metabolism of yeast and other microorganisms, and make the wine taste better.

Although the ancients did not know its precise chemical structure, in long-term practice, they knew how to use materials containing such ingredients to achieve the required process effects and promote the development of many industries, which was of great significance to the inheritance of traditional crafts and production and life.

What are the synthesis methods of 7- [ (4S) -4-amino-6-azospiral [2.4] heptane-6-yl] -8-chloro-6-fluoro-1- [ (2S) -2-fluorocyclopropyl] -4-oxyquinoline-3-carboxylic acid hydrate

To prepare 3-hydroxy-6-azospiral [2.4] heptyl-6-yl-8-bromo-6-chloro-1-[ (2S) -2-chlorocyclopropyl] -4-oxo-5-ene-7-carboxylic acid hydrate, there are many methods for its synthesis.

Although "Tiangong Kaiji" does not contain the method of synthesizing such compounds, according to the principles of ancient chemical preparation, relevant ideas can be found.

To obtain this compound, olefin containing appropriate substituents can be used as the starting material. Under suitable reaction conditions, the olefin is reacted with a brominating agent and a chlorinating agent, so that 8-bromine and 6-chlorine can be introduced. This reaction may need to be carried out in an organic solvent, and the reaction temperature and time need to be controlled to ensure the selectivity of the reaction.

Then, the nucleophilic substitution reaction can be used to introduce the [ (2S) -2-chlorocyclopropyl] part. This purpose can be achieved by reacting the nucleophilic reagent with a suitable halogenated hydrocarbon. In this step, the choice of solvent, the type and amount of base all affect the process and yield of the reaction.

As for the construction of 3-hydroxy-6-hetero-azo-spiro [2.4] heptyl-6-group, an intramolecular cyclization reaction may be used. A chain compound containing an appropriate functional group is used as a substrate, and an intramolecular cyclization reaction occurs under the action of an acid, base or metal catalyst. This process requires precise design of the substrate structure to ensure the formation of the target spiral ring structure.

Finally, the 4-oxo-5-ene-7-carboxylic acid moiety can be prepared, or it can be reacted with carboxylation by oxidation reaction. First, a suitable alcohol or aldehyde is oxidized to a carboxylic acid, and then an alkenyl bond and a carbonyl group are formed through reactions such as dehydration.

The whole synthesis process requires careful planning of each step of the reaction, considering the influence of each reaction condition on the structure and purity of the product. In this way, the target 3-hydroxy-6-azospira [2.4] heptyl-6-yl-8-bromo-6-chloro-1-[ (2S) -2-chlorocyclopropyl] -4-oxo-5-ene-7-carboxylic acid hydrate.

What is the safety of 7- [ (4S) -4-amino-6-azospiral [2.4] heptane-6-yl] -8-chloro-6-fluoro-1- [ (2S) -2-fluorocyclopropyl] -4-oxyquinoline-3-carboxylic acid hydrate

Nowadays, there is a thing called "7- [ (4S) -4 -hydroxy-6-heteroazospira [2.4] heptyl-6-yl] -8-chloro-6-bromo-1- [ (2S) -2 -bromocyclopropyl] -4 -oxodistyrene-3 -carboxylic acid hydrate". The safety of this substance needs to be carefully examined.

This compound has an exquisite structure, but the exquisite structure may also hide risks. Among the halogen elements involved, such as chlorine and bromine, the halogen atoms are active in nature, or cause various changes in the environment and organisms. Under specific conditions, chlorine and bromine atoms may be separated from the parent body and react with surrounding substances, which may affect the stability and safety of the system in which they are located.

Furthermore, functional groups such as hydroxyl groups and oxides, although each has its own characteristics, coexist in a molecule, or interact with each other. When stored or used, or excited by factors such as temperature, humidity, and light, chemical reactions occur. If the hydroxyl group is nucleophilic, and the carbonyl group where the oxygen generation is located is electrophilic, if there are suitable reactants around the two, or cause intramolecular or intermolecular reactions, thereby changing the properties of the compound, this is a factor that cannot be ignored in terms of safety.

And the state of the hydrate, the binding force of water and the main compound may be different, and changes in the environment, such as differences in temperature and humidity, or changes in the way of water separation or binding, which in turn affect the stability and safety of the compound as a whole.

In summary, in order to clarify the safety of this "7 - [ (4S) -4 - hydroxy - 6 - azospiral [2.4] heptyl - 6 - yl] - 8 - chloro - 6 - bromo - 1 - [ (2S) -2 - bromocyclopropyl] - 4 - oxodistyrene - 3 - carboxylic acid hydrate", many experiments and detailed investigations are required to consider its stability under different conditions, reactivity and potential impact on the environment and organisms, in order to obtain its more accurate safety characteristics.