What is the chemical structure of (4 '-methyl-3-fluoro [1,1' -biphenyl] -4-yl) -boronic acid?

(4 '-methyl-3-fluorine [1,1' -biphenyl] -4-yl) boric acid, its chemical structure is unique. Looking at this compound, with the biphenyl structure as the base, it is like two connected trees. On top of its aromatic ring, a methyl group is added at the 4 'position, which is like a new sprout from a branch of Jiamu, giving it different characteristics. And at the 3rd position of the same aromatic ring, fluorine atoms are ingeniously embedded, and the electronegativity of fluorine is quite high, which makes the structure of the electron cloud different, as if it is triggering the strings of molecules in subtle places.

Looking at the boric acid group again, it is connected to the fourth position of another aromatic ring, which seems to add a different decoration to this "molecular good wood". The boric acid group has unique reactivity and is often a key part in the field of organic synthesis. It can be used as a bridge to build many complex molecular structures. In this way, the structure of (4 '-methyl-3-fluoro [1,1' -biphenyl] -4-yl) boric acid, the interaction of each part, endows it with unique physical and chemical properties, and has potential applications in materials science, pharmaceutical chemistry and other fields. It is also an interesting chemical structure.

What are the main uses of (4 '-methyl-3-fluoro [1,1' -biphenyl] -4-yl) -boronic acid?

(4 '-Methyl-3-fluoro [1,1' -biphenyl] -4-yl) boric acid, which has a wide range of uses. In the field of organic synthesis, it is often used as a key intermediate, such as participating in the Suzuki coupling reaction. Suzuki coupling reaction is an important means of building carbon-carbon bonds, and plays a pivotal role in the fields of drug development and materials science. With this reaction, (4 '-methyl-3-fluoro [1,1' -biphenyl] -4-yl) boric acid can be linked to substrates such as halogenated aromatics or olefins to form biphenyl derivatives with diverse structures, laying the foundation for the creation of novel organic compounds.

In the field of medicinal chemistry, biphenyl structures are commonly found in many bioactive molecules. (4 '-methyl-3-fluoro [1,1' -biphenyl] -4-yl) boric acid is an important building block for the synthesis of such drug molecules, which may help to develop new drugs to deal with various diseases.

In the field of materials science, materials containing specific biphenyl structures may exhibit unique photoelectric properties. (4 '-methyl-3-fluoro [1,1' -biphenyl] -4-yl) boric acid can be introduced into the material skeleton by organic synthesis, thereby imparting special properties such as fluorescence and semiconductors to the material, and is used in the preparation of Light Emitting Diode, organic photovoltaic cells and other devices.

What are the synthesis methods of (4 '-methyl-3-fluoro [1,1' -biphenyl] -4-yl) -boronic acid?

The following methods are commonly used for the synthesis of (4 '-methyl-3-fluoro [1,1' -biphenyl] -4-yl) boric acid.

One is the derivation method of Suzuki coupling reaction. First, a suitable halogenated aromatic hydrocarbon, such as 4 '-halogenated-4' -methyl-3-fluorobiphenyl, is taken and reacted with a diphenyl alcohol borate in a suitable organic solvent under the combined action of a palladium catalyst, a base and a ligand. In this process, the palladium catalyst can promote the formation of chemical bonds between halogenated aromatics and borate esters. The palladium catalyst used is commonly used as tetrakis (triphenylphosphine) palladium (0), and the base can be selected from potassium carbonate, sodium carbonate, etc., and ligands such as tri-tert-butyl phosphine. The reaction needs to be carried out at a certain temperature, usually between 80 and 100 ° C, with continuous stirring for several hours to make the reaction sufficient. After the reaction is completed, the target product (4 '-methyl-3-fluoro [1,1' -biphenyl] -4-yl) boric acid can be obtained through separation and purification.

Second, it can be started from the Grignard reagent method. First, a suitable halogen is reacted with magnesium to form a Grignard reagent. For example, 4-halo-4 '-methyl-3-fluorobiphenyl reacts with magnesium in anhydrous ether or tetrahydrofuran to form a Grignard reagent. After that, the Grignard reagent is reacted with borate esters, such as trimethyl borate. After the reaction is completed, the borate ester is converted into boric acid by acid hydrolysis treatment, and (4' -methyl-3-fluoro [1,1 '-biphenyl] -4-yl) boric acid can also be obtained. During this process, the reaction conditions, such as an anhydrous environment, need to be strictly controlled to avoid the decomposition of Grignard reagents in contact with water. < Br >
There are also methods developed based on the principles of metal-organic chemical vapor deposition (MOCVD). The boric acid product is also expected to be prepared by the reaction of gaseous boron-containing compounds and organic halides in the gas phase under high temperature and specific catalyst action. However, this method requires high equipment and harsh reaction conditions.

What are the physical properties of (4 '-methyl-3-fluoro [1,1' -biphenyl] -4-yl) -boronic acid?

(4 '-Methyl-3-fluoro [1,1' -biphenyl] -4-yl) boric acid, this substance has a variety of physical properties. At room temperature, it is mostly white to light yellow solid powder, with a fine texture, like fine snow falling at the beginning of winter, loose but not greasy. This form is easy to store and transport, and is easy to disperse in many reaction systems.

Looking at its solubility, it is quite soluble in common organic solvents, such as dichloromethane and chloroform, just like fish getting water, it can blend well with solvents and disperse evenly. In polar organic solvents such as methanol and ethanol, although the solubility is slightly inferior, it also has a certain solubility, forming a uniform dispersion system. However, in water, its solubility is poor, as if oil and water are incompatible, and only a very small amount can disperse in it.

When it comes to the melting point, the melting point of this substance is quite high, about [X] ° C, just like a towering mountain, requiring high energy to overcome. This characteristic shows that its intermolecular force is strong, the structure is relatively stable, and it can maintain a solid state shape under normal temperature environment, and it is not easy to melt and deform.

Its density is similar to that of common organic solids, giving it unique sedimentation and distribution characteristics in the reaction system. In some liquid-solid reactions, it has a profound impact on the reaction process and product separation. At the same time, the substance is sensitive to air and humidity, like a delicate flower. Exposed to air for a long time, it is easy to interact with water vapor and oxygen, resulting in a decrease in quality. Therefore, it should be properly sealed and stored in a dry and cool place.

What are the precautions for (4 '-methyl-3-fluoro [1,1' -biphenyl] -4-yl) -boronic acid during storage and transportation?

When storing and transporting (4 '-methyl-3-fluoro [1,1' -biphenyl] -4-yl) boric acid, many things need to be paid attention to.

This boric acid is chemically active, and the first thing to do when storing is to ensure a dry environment. Because moisture can easily cause hydrolysis and deterioration, it should be stored in a dry, cool and well-ventilated place, away from water sources and moisture. In addition, the temperature must also be properly controlled. Excessive temperature may cause it to decompose. It is usually appropriate to refrigerate at 2-8 ° C, so as to maintain its chemical stability.

During transportation, the packaging must be strong and sealed. Select suitable packaging materials to prevent collision and vibration from causing it to leak. And it is necessary to follow the relevant chemical transportation regulations, and clearly mark the warning label to enable the transporter to clarify its chemical characteristics and potential hazards. At the same time, avoid co-transportation with oxidizing substances, alkaline substances, etc., to prevent chemical reactions and safety accidents.

In addition, whether it is storage or transportation, complete records are required, such as storage conditions, transportation routes, warehousing time, etc., for traceability and control. In this way, it is possible to ensure that the quality of (4 '-methyl-3-fluoro [1,1' -biphenyl] -4-yl) boric acid is not damaged during storage and transportation, and to ensure the safety of personnel and the environment.