4-fluoro-1-isopropyl-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[d]imidazole

This compound is named 4-fluoro-1-isopropyl-2-methyl-6- (4,4,5,5-tetramethyl-1,3,2-dioxyboron heterocyclopentane-2-yl) -1H-benzo [d] imidazole. Its chemical structure can be composed of the following parts:
1. ** Benzimidazole core structure **: This is the basic skeleton of the whole compound. Benzimidazole is formed by fusing a benzene ring with an imidazole ring. The imidazole ring is a five-membered heterocycle containing two nitrogen atoms and has aromatic properties. In 1H-benzo [d] imidazole, 1H means that the hydrogen atom is attached to the nitrogen atom at position 1 of the imidazole ring.
2. ** Substituent **:
- ** 4 -fluorine **: that is, the fluorine atom is attached to the carbon atom at position 4 of the benzimidazole benzene ring part.
- ** 1 -isopropyl **: isopropyl (-CH (CH) ³) is attached to the nitrogen atom at position 1 of the imidazole ring, replacing the original hydrogen atom.
- ** 2 -methyl **: methyl (-CH 😉) is attached to the carbon atom at position 2 of the imidazole ring.
- ** 6- (4,4,5,5 -tetramethyl-1,3,2 -dioxyboron heterocyclopentane-2 -yl) **: This substituent is attached to the carbon atom at position 6 of the benzimidazole benzene ring moiety. 4,4,5,5-tetramethyl-1,3,2-dioxyboron heterocyclopentane is a five-membered cyclic structure, in which the carbon atom at position 2 is connected to the carbon atom at position 6 of the benzimidazole benzene ring. There are also four methyl groups on the ring connected to the carbon atoms at positions 4, 4, 5, and 5, respectively, and the ring contains boron atoms and two oxygen atoms to form the dioxyboron heterocyclic pentane structure.
In summary, the chemical structure of this compound is composed of the benzimidazole core structure and its fluorine, isopropyl, methyl at different positions, and substituents such as 4,4,5,5-tetramethyl-1,3,2-dioxyboron heterocyclopentane-2-group.

4 - fluoro - 1 - isopropyl - 2 - methyl - 6 - (4, 4, 5, 5 - tetramethyl - 1, 3, 2 - dioxaborolan - 2 - yl) - 1H - benzo [d] imidazole is an organic compound. The main use of this compound is more common in the field of organic synthesis.
In organic synthesis, it is often used as a key intermediate. Cover because its structure contains specific functional groups such as boron ester groups and benzimidazole rings, giving it unique reactivity. Boron ester groups can participate in the coupling reaction of Suzuki, which is an important means of constructing carbon-carbon bonds. With this reaction, it can be combined with many halogenated hydrocarbons or other electrophilic reagents to realize the construction of complex organic molecules, which is of great significance in the fields of medicinal chemistry and materials science.
In the field of medicinal chemistry, it is used as an intermediate to synthesize derivatives, or has potential biological activity. Researchers hope to develop new drug molecules for the treatment of diseases through structural modification and modification. For example, for specific disease targets, design and synthesize compounds that are compatible with them, and exert therapeutic effects by modulating specific physiological processes in the organism.
In the field of materials science, materials synthesized based on this compound may have unique optoelectronic properties. Or can be used to prepare organic Light Emitting Diodes (OLEDs), solar cells and other optoelectronic devices, because of its specific structure or can affect the material charge transport, luminous efficiency and other key performance indicators, providing a new path for the development of high-performance optoelectronic devices.

The synthesis of 4-fluoro-1-isopropyl-2-methyl-6- (4,4,5,5-tetramethyl-1,3,2-dioxyboron-heterocyclopentane-2-yl) -1H-benzo [d] imidazole is a key field of organic synthetic chemistry. The synthesis of this compound can be achieved through multiple channels.
First, the coupling reaction catalyzed by transition metals can be achieved. First, the appropriate halogenated benzimidazole derivative is used as the starting material, and the boron-containing reagent is coupled with Suzuki-Miyaura in the presence of transition metal catalysts and ligands such as palladium and nickel to form a boron ester functional group, so as to obtain the target product. In this process, the type of halogen atom, reaction solvent, base type and dosage of halogenated benzimidazole have a great impact on the reaction process and yield.
Second, the strategy of gradually constructing benzimidazole rings can be adopted. First, the derivatives of o-phenylenediamine with specific substituents are prepared, followed by fluorine-containing, isopropyl-methyl-containing carboxylic acids or their derivatives, under suitable reaction conditions, through condensation and cyclization to construct benzimidazole mother nucleus. Then, through boron esterification, 4,4,5,5-tetramethyl-1,3,2-dioxyboron heterocyclopentane-2-yl is introduced. Reaction temperature, reaction time, and catalyst selection are also important factors in this route.
Third, there are also studies trying to use microwave-assisted synthesis technology to accelerate the reaction process and improve the reaction efficiency. This technology can rapidly heat the reaction system, accelerate the molecular motion, greatly increase the collision frequency and effective collision probability between the reactants, and then achieve a higher yield in a short time. However, the precise regulation of microwave power and radiation time is also the key to the success of this method.
The above synthesis methods have their own advantages and disadvantages. In practical applications, it is necessary to carefully weigh the choice according to the availability of raw materials, the ease of control of reaction conditions, product purity and yield, etc., in order to find the optimal synthesis path.

4-Fluoro-1-isopropyl-2-methyl-6- (4, 4, 5, 5-tetramethyl-1, 3, 2-dioxyboron-heterocyclopentane-2-yl) -1H-benzo [d] imidazole, this is an organic compound. Its physical and chemical properties are unique, and it is of great significance to the field of organic synthesis.
In terms of physical properties, under normal temperature and pressure, the compound is mostly in a solid state, which is due to its strong intermolecular forces and orderly arrangement of molecules, so it becomes a solid state. Looking at its melting and boiling point, due to the molecular structure containing aromatic rings, boron heterocycles and various alkyl groups, the intermolecular forces are complex, resulting in a relatively high melting and boiling point. The presence of aromatic rings enhances the intermolecular π-π stacking effect, and the interaction between boron heterocycles and surrounding groups also affects the melting and boiling point.
In terms of solubility, because it is an organic compound, and the molecular structure contains hydrophobic alkyl and aromatic rings, it has good solubility in organic solvents, such as dichloromethane, chloroform, tetrahydrofuran, etc. However, it has poor solubility in water. This is because the polarity of water molecules is quite different from the molecular polarity of the compound. According to the principle of "similar miscibility", it is difficult to dissolve in water.
In terms of chemical properties, the boron heterocyclic activity in this compound is quite high. Boron atoms have electron-deficient properties and are easy to react with nucleophiles, and can participate in many classic boron chemical reactions, such as Suzuki coupling reaction. In this reaction, boron heterocyclic can be coupled with halogenated aromatics or halogenated olefins under the action of palladium catalyst to form carbon-carbon bonds, which greatly expands the strategy of organic synthesis and is widely used in drug synthesis, materials science and other fields.
At the same time, benzimidazole rings also have certain chemical activities, and nitrogen atoms can participate in the reaction as electron donors to carry out electrophilic substitution reactions. The substituents on the aromatic ring, such as fluorine atom, methyl group and isopropyl group, will affect the electron cloud density distribution of the benzimidazole ring, thereby changing its reactivity and selectivity. Fluorine atoms have strong electronegativity and electron-absorbing induction effect, which decreases the electron cloud density of the benzimidazole ring and slightly decreases the electrophilic substitution reactivity, which will affect the selectivity of the reaction check point.
The physicochemical properties of this compound determine its important position and application prospects in organic synthesis, drug development and other fields.

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