What is the chemical structure of 2-ethoxy-5-fluoro-1H-pyrimidin-4-one?

This is the chemical structure analysis of 2-ethoxy-5-fluoro-1H-pyrimidine-4-one. Among its structure, the pyrimidine ring is the core structure. The pyrimidine ring is a six-membered nitrogen-containing heterocyclic ring composed of two nitrogen atoms and four carbon atoms in a specific bonding manner.

In the 1H-pyrimidine-4-ketone part, the hydrogen atom at the 1st position is attached to the nitrogen atom of the pyrimidine ring, and the carbonyl group (C = O) at the 4th position. This carbonyl group gives the compound specific reactivity and physicochemical properties. Due to the strong electronegativity of oxygen in the carbon-oxygen double bond, the carbonyl carbon is partially positively charged and vulnerable to attack by nucleophiles.

The 2nd position is connected with an ethoxy group (-OCH 2O CH 🥰), which is connected to the pyrimidine ring through an oxygen atom. The solitary pair electrons of the oxygen atom can have an electronic effect with the pyrimidine ring, which affects the electron cloud density and reactivity of the ring, and the existence of ethoxy groups changes the solubility and steric resistance of the compound.

5 is connected with a fluorine atom (F), and the fluorine atom has extremely high electronegativity, which has a significant impact on the electron cloud distribution of the pyrimidine ring. Its electron-absorbing induction effect reduces the electron cloud density of neighboring atoms, thereby changing the acidity, basicity and chemical reaction selectivity of the compound. The chemical structure of

This compound, due to the interaction of various substituents, endows it with unique physical and chemical properties and chemical reactivity. It has important research and application value in organic synthesis, medicinal chemistry and other fields.

What are the physical properties of 2-ethoxy-5-fluoro-1H-pyrimidin-4-one?

2-Ethoxy-5-fluoro-1H-pyrimidine-4-one, this is an organic compound with unique physical properties and is very important in the fields of chemical industry and medicine.

Looking at its properties, it may be a white to light yellow solid under normal conditions, but it also varies depending on the purity and crystallization conditions. Smell it, or it may have a weak special smell, but usually the smell is not strong and pungent.

When it comes to the melting point, it has been determined by many experiments and is roughly in a specific temperature range. This property is of great significance for the identification and purity detection of compounds. Due to the different purity of the compound, the melting point may be deviated, so that its purity can be preliminarily determined.

Its boiling point is also a key physical property. Knowing the boiling point is of great benefit to the separation and purification of compounds. Under specific pressure conditions, compounds will boil when they reach the boiling point, realizing gas-liquid conversion. According to this, distillation and other means can be used to separate them from the mixture.

In terms of solubility, the compound may exhibit a certain solubility in organic solvents such as ethanol and acetone. However, in water, the solubility may be poor. This property has a great impact on its application in different reaction systems. In organic synthesis reactions, the choice of a suitable solvent is crucial, which is related to the smooth progress of the reaction, the reaction rate and the purity of the product.

In addition, density is also a physical property that cannot be ignored. Although the relevant accurate data may vary depending on the determination method and conditions, the approximate density range can be used as one of the markers of its physical characteristics, providing an important reference for the metrology and mixing of compounds in practical applications.

In summary, the melting point, boiling point, solubility, density and other physical properties of 2-ethoxy-5-fluoro-1H-pyrimidine-4-one lay the foundation for its research and application in various fields. Scientists need to explore in detail before they can make good use of this compound.

What are the main uses of 2-ethoxy-5-fluoro-1H-pyrimidin-4-one?

2-Ethoxy-5-fluoro-1H-pyrimidine-4-one is one of the organic compounds. This compound has a wide range of uses and is often used as an intermediary in drug synthesis in the field of medicinal chemistry. Its structural properties allow chemists to construct drug molecules with specific biological activities, or to develop antibacterial, antiviral, antitumor and other drugs.

In the field of pesticide chemistry, 2-ethoxy-5-fluoro-1H-pyrimidine-4-one also plays an important role. Or it can be used as an intermediary for the synthesis of new pesticides. With its unique chemical properties, it can develop pesticide products that are highly effective in pest control and environmentally friendly. The cover can be modified and modified because of its structure to meet the activity and selectivity required by different pesticides.

Furthermore, in the field of organic synthetic chemistry, this compound can be used as a key building block for the construction of more complex organic molecular structures due to its specific functional groups. Chemists use various chemical reactions, such as substitution reactions, addition reactions, etc., to create organic compounds with diverse structures from 2-ethoxy-5-fluoro-1H-pyrimidine-4-one as starting materials, which contribute to the development of organic synthetic chemistry.

To sum up, 2-ethoxy-5-fluoro-1H-pyrimidine-4-one has important uses in many fields such as medicine, pesticides and organic synthesis, and plays an indispensable role in promoting the development of related fields.

What are 2-ethoxy-5-fluoro-1H-pyrimidin-4-one synthesis methods?

There are several common methods for the synthesis of 2-ethoxy-5-fluoro-1H-pyrimidine-4-one.

First, fluoropyrimidine-containing compounds are used as starting materials. In a suitable organic solvent, such as dichloromethane or N, N-dimethylformamide, a suitable base, such as potassium carbonate or triethylamine, is added to activate the substrate. Then react with ethoxylating reagents, such as bromoethane or diethyl sulfate, at moderate temperatures. This reaction goes through a nucleophilic substitution process, where ethoxy replaces groups at specific positions to obtain the target product. Temperature control is very critical, too high or cause side reactions to breed, too low the reaction rate is slow, generally controlled between room temperature and 80 ° C.

Second, start with the parent structure of pyrimidinone. First, fluorine atoms are introduced into the 5-position of the pyrimidinone ring through fluorination reaction. Commonly used fluorinating reagents such as Selectfluor are carried out in the presence of suitable solvents and catalysts. After fluorination is completed, ethoxylation steps are carried out. Ethyl hydrogen sulfate formed by ethanol and strong acids (such as sulfuric acid) can be used as ethoxylation reagents. Under heating conditions, ethoxy groups are connected to the 2-position of the pyrimidinone ring. During the reaction, attention should be paid to the ratio of reactants and reaction time to prevent over-reaction or by-product formation.

Third, through the strategy of constructing a pyrimidine ring. Using specific carboxylic acid derivatives and nitrogen-containing compounds containing ethoxy and fluorine atoms as raw materials, under the action of condensation agents such as 1,3-dicyclohexylcarbodiimide (DCC) and catalyst 4-dimethylaminopyridine (DMAP), the target product is formed through condensation cyclization reaction. This process requires precise regulation of reaction conditions to ensure the smooth progress of each step of the reaction, and finally obtains 2-ethoxy-5-fluoro-1H-pyrimidine-4-one.

2-ethoxy-5-fluoro-1H-pyrimidin-4-one What are the precautions in storage and transportation?

2-Ethoxy-5-fluoro-1H-pyrimidine-4-ketone is a chemical substance. When storing and transporting, many key matters should be paid attention to to to avoid its properties changing or causing safety hazards.

First storage environment. This substance should be stored in a cool, dry and well-ventilated place. A cool environment can prevent chemical reactions caused by excessive temperature, which may cause the substance to decompose, deteriorate, and even cause danger due to high temperature or cause the substance to decompose, deteriorate, and even cause danger. A dry environment is also indispensable. Moisture or moisture absorbs the substance, which affects the purity and in some cases may cause reactions such as hydrolysis. Good ventilation can disperse harmful gases that may evaporate in time and reduce safety risks.

Furthermore, when storing, ensure that the package is well sealed. Sealed packaging can prevent the substance from coming into contact with the air and avoid reactions such as oxidation. If the package is damaged, external impurities or intrusion, polluting substances, change its chemical properties. And the packaging material is also exquisite, and it needs to be corrosion-resistant, do not react with the substance, and ensure the stability of the substance.

When transporting, it is also necessary to pay attention to temperature and humidity. Transportation vehicles should be equipped with temperature and humidity control devices to maintain a suitable temperature and humidity range. And the handling process must be handled with care to avoid violent vibration and collision, so as to prevent packaging damage.

At the same time, relevant regulations and standards must be strictly adhered to. Whether it is storage or transportation, it is necessary to follow the laws and regulations of chemical management. Operators should receive professional training and be familiar with the characteristics of the substance and emergency treatment measures. In the event of an accident such as leakage during storage or transportation, prompt and effective measures should be taken to evacuate personnel, prevent the spread of pollution, and deal with the leaked substance in a timely manner.