What is the chemical structure of 1-iodo-4- (4-phenylphenyl) benzene?
1-Iodo-4- (4-phenylphenyl) benzene is 1-iodo-4- (4-biphenyl) benzene, which is an organic compound. Looking at its name, its chemical structure can be deduced according to the nomenclature of organic chemistry.
"1-iodine" indicates that the benzene ring has an iodine atom at position 1. "4- (4-phenylphenyl) " indicates that a substituent is connected at position 4 of the benzene ring. This substituent is 4-phenylphenyl, which means that the position 4 of a benzene ring is connected with another benzene ring. Overall, the compound is based on a benzene ring as the basic structure, with an iodine atom at No. 1 and a 4-phenylphenyl group at No. 4.
Its chemical structure is depicted as follows: With a phenyl ring as the core, the iodine atom is directly connected to the benzene ring at No. 1. The 4-phenylphenyl group connected to the 4-phenylphenyl group at No. 4 can be regarded as extending a phenylene group (-C H -) at No. 4 on the benzene ring, and this phenylene group is then connected to a benzene ring.
In the structure of this compound, multiple benzene rings are connected to form a conjugated system, or the substance has unique physical and chemical properties. The conjugated system is often related to the stability and optical properties of the substance, and the compound may have a special electron cloud distribution due to the conjugated system, which affects its reactivity, absorption spectrum and other properties.
What are the main physical properties of 1-iodo-4- (4-phenylphenyl) benzene?
1-Iodo-4- (4-phenylphenyl) benzene is 1-iodo-4- (4-biphenyl) benzene. The main physical properties of this substance are as follows:
In appearance, it is mostly white to light yellow crystalline powder under normal conditions. This is due to the arrangement and combination of benzene rings and iodine atoms in its molecular structure, which makes it appear in such an appearance state.
In terms of melting point, it is about 118-122 ° C. The intermolecular forces and the characteristics of the crystal structure of this substance cause the lattice structure to be destroyed within a specific temperature range, and the substance changes from solid to liquid.
Solubility, slightly soluble in water. The water molecule is a polar molecule, while the polarity of 1-iodine-4- (4-biphenyl) benzene molecule is relatively weak. According to the principle of similar miscibility, it is difficult to dissolve in water. However, it is soluble in common organic solvents, such as toluene, dichloromethane, etc. The molecular structure of organic solvents is similar to that of 1-iodine-4- (4-biphenyl) benzene, and intermolecular forces can promote their mutual dissolution.
In terms of density, the specific value will vary slightly according to the measurement conditions, roughly 1.5-1.6 g/cm ³. This value is determined by its molecular composition and stacking mode. The relative atomic mass of iodine atoms is relatively large, and the stacking of benzene ring structure gives it such a density range.
The vapor pressure of this substance is low, and the degree of volatilization at room temperature and pressure is limited. Due to the existence of van der Waals forces and π-π stacking between molecules, the molecules are bound to the condensed phase, and it is not easy to escape to form steam.
The physical properties described above are of important guiding value for the application of 1-iodine-4- (4-biphenyl) benzene in chemical synthesis, materials science and other fields.
What are the common synthesis methods of 1-iodo-4- (4-phenylphenyl) benzene?
1-Iodo-4- (4-phenylphenyl) benzene, Chinese name or 1-iodo-4- (4-biphenyl) benzene. The common synthesis methods are as follows:
First, 4- (4-bromophenyl) phenylboronic acid and 1-iodobenzene are prepared by Suzuki coupling reaction under the action of palladium catalyst. In this reaction, 4- (4-bromophenyl) phenylboronic acid, 1-iodobenzene, alkali (such as potassium carbonate, etc.) and palladium catalyst (such as tetra (triphenylphosphine) palladium, etc.) are placed in an organic solvent (such as a mixed solvent of toluene, ethanol and water) in a certain proportion, heated and stirred. During the reaction, the palladium catalyst activates the reactant to promote the formation of carbon-carbon bonds. The target product can be obtained by separation and purification.
Second, the alkylation reaction of 4-phenylbromophenyl and iodobenzene is used as raw materials, and the alkylation reaction of Fu-gram occurs under the catalysis of Lewis acid (such as aluminum trichloride, etc.). The reactant is mixed with the catalyst in a suitable organic solvent (such as dichloroethane), and the reaction is heated. Lewis acid catalyzes the generation of carbon positive ions, and then undergoes an electrophilic substitution reaction with the benzene ring. Subsequent treatment gives 1-iodo-4- (4-phenylphenyl) benzene.
Furthermore, 4-phenylbenzene can be halogenated to introduce halogen atoms first, and then iodine atoms can be introduced through nucleophilic substitution and other reactions. For example, under suitable conditions, 4-phenylbenzene is reacted with a halogenated reagent (such as N-bromosuccinimide, etc.) to generate 4- (4-halogenated phenyl) benzene, and then the nucleophilic substitution reaction is used to replace the halogen atom with an iodine atom. For example, under the action of potassium iodide, a suitable solvent and a catalyst, the substitution process is completed, and the final target product is obtained.
In what fields is 1-iodo-4- (4-phenylphenyl) benzene used?
1-Iodo-4- (4-phenylphenyl) benzene, also known as 1-iodo-4- (4-biphenyl) benzene, is useful in many fields.
In the field of organic synthesis, it is a key intermediate. Organic synthesis aims to build complex and delicate organic molecules, and this compound can participate in various reactions due to its unique structure. Taking Suzuki coupling reaction as an example, with the help of palladium catalyst and base, the iodine atom of 1-iodo-4- (4-biphenyl) benzene can be coupled with boric acid compounds to derive novel biphenyl derivatives. Many biologically active drug molecules and materials with excellent properties rely on this reaction path to create. Another example is the Negishi coupling reaction, which can combine with organozinc reagents to achieve the construction of carbon-carbon bonds, opening up new avenues for the synthesis of biphenyl compounds with specific structures, and has made outstanding achievements in expanding the structural diversity of organic molecules.
It also plays an important role in the field of materials science. In the field of optoelectronic materials, materials based on 1-iodine-4- (4-biphenyl) benzene exhibit unique optoelectronic properties. After rational molecular design and modification, materials with specific light absorption and emission characteristics can be prepared for organic Light Emitting Diodes (OLEDs). OLEDs are widely used in display screen manufacturing due to their advantages of self-luminescence, wide viewing angle, and fast response speed. 1-Iodine-4- (4-biphenyl) benzene-based materials can optimize the luminous efficiency and color purity of OLEDs, and improve the display image quality. In addition, in organic solar cell materials, it can adjust the material energy level structure, enhance the ability of light absorption and charge transfer, help improve the photoelectric conversion efficiency of solar cells, and contribute to the development of new energy materials.
In the field of medicinal chemistry, although it has its own or indirect medicinal use, it can participate in the construction of drug molecules as an intermediate. Many biphenyl compounds with potential biological activity need to borrow 1-iodine-4- (4-biphenyl) benzene as the starting material. By introducing different functional groups, molecular physicochemical properties and biological activities can be changed. After screening and optimization, it may be able to develop therapeutic drugs for specific diseases and contribute to human health.
What are the safety and toxicity of 1-iodo-4- (4-phenylphenyl) benzene?
1-Iodo-4- (4-phenylphenyl) benzene, this is an organic compound, the Chinese name is or 1-iodo-4- (4-biphenyl) benzene. Regarding its safety and toxicity, I will tell you in detail today.
Let's talk about toxicity first. The iodine atom and aryl structure of this compound may have certain toxicity. In vivo, or through its lipophilicity, it crosses the cell membrane and interacts with intracellular biological macromolecules such as proteins and nucleic acids. If it interacts with proteins, or changes their conformation and function, it will cause disorders in cellular physiological processes. If it interferes with the active center of the enzyme, it will lose the catalytic activity of the enzyme and hinder the metabolism. If it interacts with nucleic acids, or causes genetic mutations, it may cause errors in the transmission of cellular genetic information, and in the long run, it may increase the risk of cancer. However, the strength of toxicity also depends on the dose. At low doses, the organism may resolve it by its own detoxification mechanism; at high doses, the toxicity is complete, or it may cause acute poisoning and damage important organs such as liver and kidney.
Let's talk about safety again. Its chemical properties may be relatively stable, and there is also a risk in case of high temperature, open flame or strong oxidant. At high temperatures, it may decompose to produce toxic iodide gases, such as hydrogen iodide, which are corrosive and irritating. After inhalation, it hurts the respiratory tract, causing cough, breathing difficulties and other symptoms. When storing, it is necessary to avoid heat and oxidants, and it should be placed in a cool and well-ventilated place to prevent danger. During use, the operator should strictly follow the operating procedures and wear appropriate protective equipment, such as protective gloves, goggles, gas masks, etc., to prevent the compound from contacting the skin, eyes or inhalation.
In short, 1-iodo-4 - (4-phenylphenyl) benzene has certain toxicity and potential safety risks. When using and storing, it must be treated with caution, and strictly follow safety regulations to ensure the safety of personnel and the environment.