What is the chemical structure of (1R, 2R) -2- (3,4-difluorophenyl) cyclopropane-1-formamide?

(1R, 2R) -2 - (3,4 - dihydrophenyl) cyclopropane-1 - methyl formate is an organic compound, which is very important in the field of organic synthesis and medicinal chemistry. Its chemical structure is as follows:
1. ** Core structure of cyclopropane **: This compound is based on cyclopropane. Cyclopropane is a ternary carbon ring with unique tension and higher activity than ordinary open-chain alkanes. Its three carbon atoms are arranged in a triangular shape with an inner angle of about 60 °, which is much smaller than the normal bond angle of sp ³ hybrid carbon atoms of 109.5 °, resulting in the existence of angular tension in the ring, which is prone to ring-opening reaction, which is an important reaction characteristic of this compound.
2. ** (1R, 2R) Configuration Identification **: " (1R, 2R) " indicates the three-dimensional configuration of the carbon atoms at positions 1 and 2 on cyclopropane. According to the Cahn-Ingold-Prelog rule, the priority order of the groups connecting the carbon atoms is judged. R means clockwise arrangement, that is, when the observer observes from the opposite side of the lowest priority group, the remaining three groups are arranged clockwise from high to low in priority. In this compound, the carbon atoms at positions 1 and 2 are of the R configuration, reflecting a specific spatial orientation, which has a significant impact on their physicochemical properties and biological activities, especially in biological processes involving chiral recognition.
3. ** 2- (3,4 -dihydrophenyl) Substituent **: Cyclopropane 2-linked (3,4 -dihydrophenyl) group. The benzene ring has a conjugated π electron system and is usually stable, but here the 3 and 4 positions of the benzene ring are in the dihydrogen form, that is, partially hydrogenated, which changes the electron cloud distribution of the benzene ring, and the activity is different from that of the ordinary benzene ring. The substituent is connected to the cyclopropane through a single bond, and the single bond can be rotated, which affects the overall conformation of the compound. At the same time, the electronic effect of the benzene ring also affects the electron cloud density of the cyclopropane ring and changes its reactivity.
4. ** 1 -Methyl formate substituent **: The cyclopropane 1 position is connected with a methyl formate group ( In this group, the carbonyl group (C = O) has an electron-absorbing induction effect, which reduces the electron cloud density of the carbon atoms connected to it; at the same time, the alkoxy group (-OCH 🥰) in the ester group has a conjugation effect with the carbonyl group. The group not only affects the polarity of the compound, but also participates in various chemical reactions, such as hydrolysis, alcoholysis, etc. It can be used as a reaction check point in organic synthesis for structural modification.

What are the physical properties of (1R, 2R) -2- (3,4-difluorophenyl) cyclopropane-1-formamide?

(1R, 2R) -2 - (3,4 - dihydrophenyl) cyclopropane-1 - methyl formate is an organic compound. Its physical properties are as follows:

Appearance: Under normal conditions, this compound is mostly colorless to light yellow liquid, clear and transparent, with no obvious visible impurities. Under light, it has a certain luster.

Melting point: The melting point is relatively low, around - [X] ° C, which indicates that it changes from liquid to solid in a low temperature environment. The boiling point is about [X] ° C, reflecting that it needs to reach a specific temperature to change from liquid to gas. The melting boiling point characteristic is related to the intermolecular force. The intermolecular force is weak and the melting point is low; while the intermolecular force of a certain intensity makes the boiling point within a certain range.

Density: The density is about [X] g/cm ³, which is slightly heavier than water. If mixed with water, it will sink to the bottom of the water. This property is determined by the mass and volume of the molecule, and its molecular weight and the degree of close arrangement make the unit volume mass larger.

Solubility: It exhibits good solubility in common organic solvents, such as ethanol, ether, and chloroform, and can be miscible with these solvents in any ratio. This is due to the fact that its molecular structure and organic solvent molecules can form similar intermolecular forces, following the principle of "similar dissolution". However, the solubility in water is not good, because the molecular polarity is quite different from that of water molecules, it is difficult to form effective interactions with water molecules.

Refractive index: The refractive index is [X], which characterizes the degree of refraction of light when passing through this compound, and is closely related to the electron cloud distribution and structure of the molecule. It is an important physical constant for identification and purity detection.

The above physical properties are of great significance for their applications in organic synthesis, drug development and other fields. Understanding these properties helps to control their behavior under different conditions, providing a key basis for research and production in related fields.

What are the main uses of (1R, 2R) -2- (3,4-difluorophenyl) cyclopropane-1-formamide?

(1R, 2R) -2 - (3,4 - dihydrophenyl) cyclopropane-1 - methyl formate, this compound has important uses in many fields.

In the field of medicinal chemistry, as a key organic synthesis intermediate, it is of great significance in the process of drug development. With its unique chemical structure, it can participate in the construction of various complex drug molecules. For example, it can be linked with other active groups through specific chemical reactions to synthesize compounds with novel structures and unique biological activities. Scientists can design and synthesize a series of potential therapeutic drugs based on the study of disease targets, using (1R, 2R) -2- (3,4-dihydrophenyl) cyclopropane-1-methyl formate as the starting material, providing possible solutions for tackling difficult diseases such as cancer and cardiovascular diseases.

In the field of materials science, the compound also shows potential application value. Its special structure gives it some unique physical and chemical properties, which can be used to prepare materials with specific properties. For example, by copolymerizing with other polymers, the mechanical properties, thermal stability and optical properties of materials can be improved. Perhaps in the future, new materials based on (1R, 2R) -2- (3,4-dihydrophenyl) cyclopropane-1-formate will be widely used in electronic devices, optical instruments and other fields, promoting technological innovation in these fields.

What are the synthesis methods of (1R, 2R) -2- (3,4-difluorophenyl) cyclopropane-1-formamide?

The synthesis method of (1R, 2R) -2 - (3,4 - dihydrophenyl) cyclopropane-1 - methyl formate, although "Tiangong Kaiwu" does not contain this specific compound synthesis, it can be used to contain scientific ideas and ancient chemical wisdom, and discussed by analogy from three aspects: raw materials, reaction process and technology.

Ancient chemical process, the selection of raw materials is the key. To make this substance, or choose a raw material containing benzene ring and cyclopropane structure. In the past, people searched for raw materials in nature, such as extracting from plants and minerals. Nowadays, according to this idea, suitable organic compounds can be selected as starting materials, or natural products containing benzene ring, chemically modified to contain 3,4-dihydrophenyl structure parts; then the cyclopropane structure is introduced through reaction, which lays the foundation for synthesis.

During the reaction process, the ancients explored the chemical reaction conditions based on experience and practice. To prepare (1R, 2R) -2- (3,4-dihydrophenyl) cyclopropane-1-formate, the reaction temperature, time and reagent dosage need to be precisely controlled. Although the ancients did not have precise instruments, they could adjust it by observing the temperature and reaction phenomenon. Today, the best reaction parameters can be determined experimentally according to modern chemical theory. Or use a catalyst to accelerate the reaction, improve the yield and selectivity, which is the same as the ancient people using mediators to promote the reaction.

Technical level, ancient chemical industry has many separation and purification technologies. After synthesizing this compound, the product needs to be separated and impurities removed. In ancient times, distillation, crystallization and other methods were used, but today there are more advanced chromatography and extraction technologies. According to the properties of the product and impurities, a suitable method can be selected to purify it to obtain high-purity (1R, 2R) -2 - (3,4 - dihydrophenyl) cyclopropane-1 - methyl formate.

In summary, although the synthesis is not detailed in "Tiangong Kaiwu", its concept can inspire ideas, combined with modern chemical technology, through raw material selection, reaction control and product purification, the purpose of synthesis can be achieved.

What are the safety precautions for (1R, 2R) -2- (3,4-difluorophenyl) cyclopropane-1-formamide?

(1R, 2R) -2- (3,4 -dihydrophenyl) cyclopropane formamide is an important compound in the field of organic synthesis. The relevant safety precautions are as follows:
First, in terms of toxicity, the toxicity information of this compound may be limited, but it still needs to be treated as a potential toxic substance during operation. Because its chemical structure contains specific functional groups, it may be absorbed through the skin, inhaled or ingested by mistake to cause harm to the human body. For example, if no protection is taken during operation, the compound comes into contact with the skin, or causes skin irritation, redness, swelling and itching symptoms; if it inhales its dust or volatiles, or affects the respiratory tract, causing cough and asthma. Therefore, protective clothing, gloves and protective masks need to be worn throughout the operation.
Second, from the perspective of fire and explosion hazards, although there are no special reports of flammable and explosive substances, it is an organic compound that encounters hot topics, open flames or strong oxidants, or has a risk of combustion. If there is a fire source nearby in a high-temperature laboratory environment, the compound may burn, or even cause an explosion due to intense combustion. Therefore, the storage place must be kept away from fire sources, heat sources and strong oxidants, and the laboratory should be equipped with complete fire extinguishing facilities.
Third, regarding stability and reactivity, this compound may be relatively stable under conventional conditions and may react in the event of encountering a specific chemical substance. Like some strong acids, strong bases or active metals, or react with the functional groups of the compound, not only cause the product to be impure, but also may release a lot of heat due to the reaction, which may cause safety accidents. Therefore, when storing and using, avoid contact with such substances, and at the same time, fully understand the possible chemical reactions before use.
Fourth, waste treatment should not be ignored. The waste containing the compound produced by the experiment cannot be discarded at will. It needs to be sorted, collected and treated in accordance with local environmental protection regulations and laboratory regulations. If not handled properly, the compound will flow into the environment, or pollute the soil and water sources, endangering the ecology. For example, the waste liquid containing the compound will be dumped at will, or the surrounding water will be polluted, affecting the survival of aquatic organisms.