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What is the chemical structure of 1-tert-butyl-3-iodobenzene?
The chemical structure of 1-tert-butyl-3-iodobenzene is unique. This compound is derived from the benzene ring. The benzene ring is a six-membered carbon ring with a conjugated double bond system and has a planar ring structure, which endows it with special stability and chemical activity.
is attached to the benzene ring, with specific substituents at the 1st and 3rd positions. The tert-butyl group connected at the 1st position, that is, -C (CH) 🥰, is a branched hydrocarbon group. The introduction of tert-butyl has a great impact on the electron cloud density distribution and chemical reaction activity of the benzene ring due to its large steric hindrance. Spatial hindrance can limit the reaction at a specific position of the benzene ring, or guide the reaction in a specific direction. The iodine atom attached at the
3 position, iodine is a halogen element, with a large atomic radius and electronegativity. The iodine atom is connected to the benzene ring, and the electron cloud of the benzene ring is affected by the induction effect and the conjugation effect. The induction effect makes the electron cloud biased towards the iodine atom, and the conjugation effect makes the electron cloud delocalized between the benzene ring and the iodine atom. This double effect causes the electron cloud density of the benzene ring to change, especially the electron cloud density of the adjacent and para-potential, which in turn affects the reactivity and selectivity of the compound such as electrophilic substitution.
In summary, the chemical structure of 1-tert-butyl-3-iodobenzene is composed of a benzene ring, a tert-bu
What are the main physical properties of 1-tert-butyl-3-iodobenzene?
1-tert-butyl-3-iodobenzene is also an organic compound. It has various physical properties and is of great significance to chemical research and industrial applications.
In terms of its properties, under room temperature and pressure, 1-tert-butyl-3-iodobenzene is in a liquid state. It is clear and transparent in appearance, has no significant color, and has a specific odor. Although this odor is not pungent, it is still necessary to be cautious when operating to prevent excessive inhalation.
As for the boiling point, it is about 240 to 250 degrees Celsius. The boiling point is the temperature limit for the substance to change from liquid to gas. The boiling point of 1-tert-butyl-3-iodobenzene is higher, which is caused by intermolecular forces. The atomic structure of tert-butyl and iodine in the molecule increases the attractive force between molecules. To make it boil, more energy is required, so the boiling point is higher.
In terms of melting point, it is about minus zero degrees Celsius, and the specific value varies depending on the measurement conditions. The melting point is related to the transformation of solid and liquid states of substances, and has an important impact on the storage and transportation of substances. Because of its low melting point, it is liquid at room temperature, and no special thermal insulation measures are required for storage. < Br >
1-tert-butyl-3-iodobenzene has a density greater than that of water. When mixed with water, it can be seen that it sinks to the bottom of the water. This property can be used in the process of separation and purification. And its solubility is good in common organic solvents such as ethanol, ether, and dichloromethane, but it has very low solubility in water. This solubility characteristic is related to the molecular structure. Its molecules are non-polar or weakly polar, which is similar to the intermolecular force of organic solvents, so they are soluble; while water is a strongly polar molecule, and the intermolecular force between 1-tert-butyl-3-iodobenzene is small, so it is difficult to dissolve.
In addition, the vapor pressure of 1-tert-butyl-3-iodobenzene is lower. Vapor pressure, when a substance is in equilibrium with the liquid phase at a specific temperature, is also the pressure of the gas phase. Low vapor pressure indicates that its volatilization rate is relatively slow, and during operation, there is less volatilization loss, which also reduces the risk of air pollution due to volatilization.
In summary, the physical properties of 1-tert-butyl-3-iodobenzene, such as liquid properties, higher boiling point, lower melting point, greater density than water, specific solubility, and low vapor pressure, etc., play an important role in many fields such as organic synthesis and drug development, providing a basic basis for related research and applications.
What are the common synthetic methods of 1-tert-butyl-3-iodobenzene?
1-tert-butyl-3-iodobenzene is also an important intermediate in organic synthesis. There are about three common synthesis methods.
First, 1-tert-butyl benzene is used as the starting material and is prepared by halogenation reaction. In this way, iodine is often used as a halogenation reagent, but the activity of iodine is slightly lower, and the reaction is not easy to occur directly. Therefore, it is often necessary to introduce catalysts, such as metal halides such as iron and aluminum, to promote the reaction. In this process, the metal halide interacts with iodine to form a positive iodine ion with higher activity, and then undergoes an electrophilic substitution reaction with 1-tert-butyl benzene, and iodine atoms are introduced at the 3rd position of the benzene ring to obtain the target product 1-tert-butyl-3-iodobenzene.
Second, synthesized by Grignard reagent method. First, 1-tert-butyl-3-bromobenzene is reacted with magnesium to make Grignard reagent. Grignard reagent has high activity and can react with iodine reagents, such as iodomethane, to undergo a substitution reaction. Bromine atoms are replaced by iodine atoms, and finally 1-ter This method requires attention to the control of reaction conditions. For example, in an anhydrous and oxygen-free environment, the Grignard reagent is easily decomposed in contact with water and oxygen, resulting in the failure of the reaction.
Third, the coupling reaction catalyzed by palladium. React with 1-tert-butyl-3-borate and iodine reagents in the presence of a palladium catalyst. The palladium catalyst can activate substrate molecules and promote the formation of carbon-iodine bonds. Such reaction conditions are relatively mild and selective, and can effectively synthesize 1-tert-butyl-3-iodobenzene. However, palladium catalysts are expensive, and cost considerations are crucial in large-scale production.
The above synthesis methods have advantages and disadvantages. In practical application, it is necessary to weigh the choice according to many factors such as raw material availability, cost, reaction conditions and product purity to achieve the best synthesis effect.
What are the applications of 1-tert-butyl-3-iodobenzene in organic synthesis?
1-tert-butyl-3-iodobenzene is widely used in organic synthesis.
First, it can be used to construct carbon-carbon bonds. Due to the high activity of iodine atoms, it can participate in coupling reactions such as Suzuki coupling reaction and Stille coupling reaction. In Suzuki coupling reaction, 1-tert-butyl-3-iodobenzene and boron-containing organic compounds can successfully form new carbon-carbon bonds under the action of palladium catalyst and base, thereby preparing biphenyl compounds. This reaction is of great significance in the field of drug synthesis and materials science, such as the preparation of some drug molecules with specific biological activities, or the synthesis of organic materials with special photoelectric properties.
Second, 1-tert-butyl-3-iodobenzene can also participate in metal-catalyzed cyclization reactions. Under the presence of suitable metal catalysts and ligands, iodine atoms in the molecule react with other unsaturated bonds to form cyclic compounds. For example, by reacting with unsaturated bonds such as alkenyl and alkynyl groups to form cyclic structures containing benzene rings, such cyclic compounds are widely used in the total synthesis of natural products and the development of new functional materials. They can synthesize natural products with complex cyclic structures and provide key intermediates for the development of new drugs.
Third, the tert-butyl in this compound has a certain electronic effect and steric resistance effect on the benzene ring. This makes the electron cloud density and reactivity of the benzene ring change, which in turn affects the reaction selectivity of the whole molecule. In some electrophilic substitution reactions, the presence of tert-butyl can guide the reaction to a specific position, which is conducive to the preparation of benzene derivatives with specific substitution modes. It is indispensable in the field of fine chemical synthesis and can be used to prepare dyes and fragrances with special structures.
In addition, 1-tert-butyl-3-iodobenzene can also be used as an important intermediate in organic synthesis. Through a series of conversion reactions, many compounds with different functional groups have been derived, providing more possibilities and options for the design of organic synthesis routes.
What are 1-tert-butyl-3-iodobenzene storage conditions?
1-tert-butyl-3-iodobenzene is also an organic compound. The most important place for its storage is to choose a cool and well-ventilated place. This compound is prone to danger when heated, so it is necessary to avoid fire and heat sources to prevent unexpected changes.
Furthermore, it should be placed in a sealed container due to exposure to air, or contact with moisture, or cause it to deteriorate. In the place of storage, it should also be avoided to mix with oxidizing agents, strong bases, etc., or react violently with such substances, endangering safety.
Storage utensils should be made of suitable materials. If the metal container is incompatible, it may cause corrosion and damage the quality of the compound. When using it, be sure to follow strict operating procedures and take necessary protective measures, such as protective clothing, gloves and goggles, to avoid personal injury.
And the storage place should be equipped with corresponding emergency treatment equipment and suitable containment materials. In case of leakage, it can be properly disposed of in time to minimize the harm. All of these are the key to the proper storage of 1-tert-butyl-3-iodobenzene, and must not be taken lightly.
