4-Bromobenzotrifluoride CAS 402-43-7

4-Bromobenzotrifluoride is a transparent to brown liquid with a slight special odor. Molecular formula C7H4BrF3, CAS402-43-7. Not easily volatile at room temperature and pressure. Easy to dissolve in water and concentrated potassium sulfate solution, almost insoluble in ethanol. It is relatively stable at room temperature and pressure, and is not prone to chemical reactions. It has a certain degree of sublimation and can sublimate when heated. Has high crystallinity and is easy to form crystals. It is an important intermediate in organic synthesis and can be used to synthesize other organic compounds. By reacting with different reactants, a series of compounds with specific structures and properties can be synthesized, which are used in fields such as medicine, pesticides, dyes, etc. There are various uses in oilfield chemicals, involving the synthesis of oilfield additives, oil recovery agents, oil-water treatment agents, oilfield equipment preservatives, and drilling fluid additives. These chemicals play an important role in oilfield extraction and the petroleum industry, helping to improve extraction efficiency, reduce costs, protect equipment and the environment, and so on.

Synthesis of 4-Bromobenzotrifluoride: N-methyl-2-pyrrolidone (NMP) (50 ml) was added to 1-bromo-4-iodobenzene (1 equivalent, 1278 mg, 4.42 mmol), cuprous iodide (I) (1.5 equivalent, 1263 mg, 6.63 mmol) and 2-fluorosulfonyl difluoroacetic acid (5 equivalent, 4249 mg, 2.82 ml, 22.12 mmol). The brown reaction mixture was heated and stirred at 80 ° C for 16 hours under an argon atmosphere.

The reaction mixture was diluted with diethyl ether (25 ml) and filtered through celite. Water was added to the filtrate and ether (4 × 25 ml) to extract the aqueous layer. Water (2 × 25ml) and brine, and dried over MgSO4 and concentrated under reduced pressure.

The detailed steps of the synthesis method are as follows:

1. Raw material mixing: First, mix N-methyl-2-pyrrolidone (NMP), 1-bromo-4-iodobenzene, cuprous iodide, and 2-fluorosulfonyldifluoroacetic acid in a certain proportion. The purpose of this step is to ensure that all raw materials are in a uniform reaction medium, preparing for subsequent reactions.

2. Heating reaction: Heat the mixture to 80 ° C and stir in an argon atmosphere. This step is to trigger a chemical reaction, allowing the raw materials to be transformed into the target product through interactions such as chemical bond transfer and cleavage.

3. Dilution and filtration: After the reaction is completed, dilute the reaction mixture with ether and filter through a diatomaceous earth filter to remove unreacted raw materials and by-products. The purpose of this step is to improve the purity of the product and prepare for subsequent separation and purification.

4. Extraction separation: The filtrate is divided into a water layer and an organic layer, and the water layer is extracted multiple times using ether. Ether can effectively extract the target product from the water layer, while other impurities in the water layer are removed by salt water and MgSO4 desiccants. This step is to separate the target product from water-soluble impurities.

5. Drying and concentration: The extracted and dried water layer is subjected to vacuum concentration to remove ether and other residual solvents, resulting in a relatively dry product. This step is to obtain the target product with high purity.

The following are the main chemical equations involved in the above synthesis methods:

Coupling reaction: C₆H₄BrI + CuI → C₆H₄BrI + copper iodide

Sulfonylation reaction: 2-fluorosulfonyldifluoroacetic acid + C₆H₄BrI → C₈H₆BrFO₂ + difluorodisulfonic acid

Esterification reaction: C₅H₉NO + C₈H₆BrFO₂ → N−(4-bromophenyl)−2−fluoroacetamide pyrrolidone

Replacement reaction: N−(4−bromophenyl)−2−fluoroacetamide pyrrolidone+NaOH → N−(4−hydroxyphenyl)−2−fluoroacetamide pyrrolidone

Hydrolysis reaction: N−(4-hydroxyphenyl)−2−fluoroacetamide pyrrolidone+HCl → N−(4-chlorophenyl)−2−fluoroacetamide pyrrolidone

Reordering reaction: N−(4-chlorophenyl)−2−fluoroacetamide pyrrolidone → N−(3,5-dichlorophenyl)−2−fluoroacetamide pyrrolidone

Hydrolysis and decarboxylation: N-(3,5-dichlorophenyl)-2-fluoroacetamide pyrrolidone → C₆H₅Cl₂N + 2,5-difluoropyrrolidone

Oxidation reaction: C₆H₅Cl₂N + O₂ → C₆H₄Cl₂O + NOx

Reduction reaction: NOx + H₂ → NH₃

Hydrolysis and decarboxylation: C₆H₄Cl₂O + H₂O → C₇H₄Cl₂O₂ + HCl

Hydrolysis and decarboxylation: C₇H₄Cl₂O₂ +H₂O → C₆H₅Cl₂N + CO₂

These chemical equations describe the main chemical reactions involved in the entire synthesis process, including coupling, sulfonation, esterification, displacement, hydrolysis, rearrangement, oxidation-reduction, and other reaction types. The combination and sequence of these reactions work together to ultimately achieve the synthesis of the target product.

4-Bromobenzotrifluoride also has certain applications in oilfield chemicals. It can be used to synthesize chemicals such as oilfield additives and oil recovery agents, which helps to improve oilfield production efficiency and oil recovery rate.

1. Oilfield additive synthesis: can be used to synthesize oilfield additives, such as acidifiers, fracturing agents, demulsifiers, etc. These additives play a crucial role in the oil field extraction process, which can increase oil well production, reduce oil production costs, and improve oil recovery. By using it as one of the raw materials, oilfield additives with specific properties and effects can be prepared.

2. Synthesis of oil recovery agents: Oil recovery agents are chemical agents used to improve oil recovery. By using them as one of the raw materials, various oil recovery agents with special properties and applications can be synthesized. These oil recovery agents can help the oil recovery process in oilfields become more efficient and economical.
3. Oil and water treatment agents: In the process of treating petroleum and water, various treatment agents are needed to remove impurities, stabilize water quality, etc. It can be used to synthesize various oil and water treatment agents, such as flocculants, dispersants, corrosion inhibitors, etc. These treatment agents help improve the effectiveness and efficiency of oil-water treatment.

4. Oilfield equipment anti-corrosion agent: Oilfield equipment is prone to corrosion and damage due to long-term exposure to harsh environments. It can be used to synthesize various anti-corrosion agents for oilfield equipment, which can protect the equipment from corrosion and extend its service life.
5. Drilling fluid additives: During the drilling process, drilling fluid is needed to maintain wellbore stability and carry rock cuttings. It can be used to synthesize various drilling fluid additives, such as thickeners, fluid loss reducers, lubricants, etc. These additives can improve the performance and efficiency of drilling fluids, and reduce drilling costs.

4-Bromobenzotrifluoride (chemical formula: C ₇ H ₄ BrF3) is an aromatic compound containing bromine and trifluoromethyl, with a molecular weight of 225.01 g/mol, a melting point of 12-14 ° C, and a boiling point of 213-215 ° C. Due to the strong electron withdrawing effect of trifluoromethyl, this compound has high chemical stability and reactivity, and is often used as a key intermediate in the synthesis of fluorinated aromatic compounds. However, during its production and use, it may be released into the environment, posing a threat to the ecosystem and human health.

1. What is Tetrahydropyran-4-Methano?
Tetrahydropyran-4-Methano is a term used to describe a specific chemical structure. It usually refers to a group of synthetic building blocks or key intermediates based on the framework of tetrahydropyran-4-methylene. The core structure involves connecting a methylene bridge or related functional groups to the fourth carbon atom of the tetrahydropyran ring. It does not refer to a specific single compound, but rather a class of chemical substances with a common parent nucleus.

2. What are the uses of Tetrahydropyran-4-Methano?
This type of compound is a very important advanced intermediate in medicine and organic synthesis. Its rigid tetrahydropyran ring can provide a stable three-dimensional structure, and is often used as a "framework" to be introduced into the target molecule to regulate its biological activity, solubility or metabolic stability. It is widely used in the research and development of innovative small molecule drugs and is the core fragment for constructing certain drug active molecules.

3. Can it be used as a finished chemical product?
No. Tetrahydropyran-4-Methano is a typical non-directly applicable chemical intermediate or research chemical. Its main value lies in being further chemically synthesized to form more complex molecules. It has not undergone any drug or consumer product safety assessment and is not suitable for any other uses except professional chemical synthesis.
4. What should be noted during purchase and usage?
The purchaser must be a research institution with professional qualifications, a pharmaceutical company, or a chemical supplier. It is necessary to specify that the usage is limited to laboratory research and compliant production. During the purchase process, the supplier should be requested to provide detailed Chemical Safety Data Sheets (MSDS/SDS) to understand the physical and chemical properties, hazards, and safety operation guidelines of the chemicals, and ensure that all operations comply with the local chemical management regulations.

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