328-99-4

Usage

Uses

Used in Pharmaceutical Industry:
3-(TRIFLUOROMETHYL)BENZOYL FLUORIDE is used as a building block for the synthesis of various pharmaceuticals, contributing to the development of new drugs and therapeutic agents. Its reactivity enables the formation of complex molecular structures, enhancing the efficacy and selectivity of pharmaceutical compounds.
Used in Agrochemical Industry:
In the agrochemical industry, 3-(TRIFLUOROMETHYL)BENZOYL FLUORIDE is utilized as a building block for the synthesis of agrochemicals, including pesticides and herbicides. Its incorporation into these compounds can improve their effectiveness in controlling pests and weeds, thereby increasing crop yields and protecting agricultural resources.
Used in Organic Synthesis:
3-(TRIFLUOROMETHYL)BENZOYL FLUORIDE is employed as a reagent in organic synthesis, facilitating various chemical reactions such as nucleophilic substitution and addition reactions. Its high reactivity allows for the formation of diverse molecular structures, expanding the scope of organic chemistry and enabling the synthesis of novel compounds with potential applications in various fields.
Used in Production of Fluorinated Compounds:
3-(TRIFLUOROMETHYL)BENZOYL FLUORIDE serves as a precursor in the production of fluorinated compounds, which are known for their unique properties and applications in various industries. The introduction of fluorine atoms into organic molecules can significantly alter their physical, chemical, and biological properties, making fluorinated compounds valuable in areas such as materials science, pharmaceuticals, and agrochemicals.
It is important to handle 3-(TRIFLUOROMETHYL)BENZOYL FLUORIDE with care due to its potential to cause irritation and toxicity upon contact with skin and eyes, emphasizing the need for proper safety measures during its use and manipulation.

InChI:InChI=1/C8H4F4O/c9-7(13)5-2-1-3-6(4-5)8(10,11)12/h1-4H

Upstream product

• 27466-80-4 3-trichloromethyl-benzoic acid 
• 454-92-2 3-(trifluoromethyl)benzoic acid 
• 454-89-7 3-Trifluoromethylbenzaldehyde 
• 27428-84-8 3-trichloromethylbenzoyl chloride 
• 1711-06-4 3-Methylbenzoyl chloride 
• 99-04-7 m-Toluic acid 

Downstream Products

• 6408-67-9 1,5-bis-(3-trifluoromethyl-benzoylamino)-anthraquinone 
• 2967-39-7 1,4-bis-(3-trifluoromethyl-benzoylamino)-anthraquinone 
• 6417-47-6 1,5-dihydroxy-4,8-bis-(3-trifluoromethyl-benzoylamino)-anthraquinone 
• 56114-21-7 m-Trifluormethylbenzoylfluorsulfat 
• 36590-46-2 3-Trifluoromethyl-benzoic acid N'-(3-trifluoromethyl-phenyl)-hydrazide 
• 22298-13-1 4,5α-epoxy-17-methyl-3-(3-trifluoromethyl-benzoyloxy)-morphin-7-en-6α-ol 
• 98-08-8 α,α,α-trifluorotoluene 
• 454-89-7 3-Trifluoromethylbenzaldehyde 
• 454-92-2 3-(trifluoromethyl)benzoic acid 

Relevant academic research and scientific papers

Synthesis method of o-trifluoromethyl methyl benzoate, m-trifluoromethyl methyl benzoate and p-trifluoromethyl methyl benzoate

The invention provides a synthesis method of o-trifluoromethyl methyl benzoate, m-trifluoromethyl methyl benzoate and p-trifluoromethyl methyl benzoate. The synthesis method comprises the following steps: taking methyl benzoic acid as a raw material, carrying out acylating chlorination to obtain methylbenzoyl chloride, carrying out side-chain chlorination to obtain trichloromethyl benzoyl chloride, carrying out fluorination substitution to obtain trifluoromethyl benzoyl fluoride, and carrying out esterification to obtain a final product which is trifluoromethyl methyl benzoate. The synthesis method can be used for producing the o-trifluoromethyl methyl benzoate, the m-trifluoromethyl methyl benzoate and the p-trifluoromethyl methyl benzoate, is easily available in raw material, mild in reaction mechanism, high in reaction yield, few in reaction by-products, low in yield of three wastes and easy in treatment of three wastes, and is suitable for industrial production.

A O-between the - trifluoromethyl benzoic acid to synthetic method (by machine translation)

The present invention provides a O-between the - trifluoromethyl benzoic acid to the synthesis method, the method comprises the following steps: (1) between adjacent to methyl benzoic acid acylated preparation between neighbour methyl benzoyl chloride; (2) between the adjacent methyl benzoyl chloride to chlorine light between neighbour trichloromethyl benzoyl chloride is obtained; (3) adjacent to the trichloromethyl benzoyl chloride fluoride obtained between between neighbour trifluoromethyl methyl benzoyle fluoride; (4) adjacent to the trifluoromethyl benzoyle fluoride hydrolysis between the final product is obtained between neighbour trifluoromethyl methyl benzoic acid. The method of the invention cheap raw material, the product yield is high, the process is simple, is favorable for industrial production. (by machine translation)

Elemental fluorine. Part 21. (1) direct fluorination of benzaldehyde derivatives

Direct fluorination of a range of benzaldehyde derivatives gives mixtures of fluorobenzaldehyde and benzoyl fluoride products in ratios that depend upon the nature of the ring substituent Electron-withdrawing substituents give predominantly benzoyl fluoride derivatives, whereas electron-donating substituents lead to fluoroarene systems. Separation of ring-fluorinated products can be easily accomplished by esterification of the benzoyl fluoride side products. Scale-up of these processes to provide significant quantities of appropriate fluorobenzaldehyde systems has also been achieved using continuous flow techniques.

HIGH-PURITY (FLUOROALKYL)BENZENE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME

The process for producing a (fluoroalkyl)benzene derivative according to the present invention comprises a step of reducing the total content of group 3 to group 12 transition metals in an alkylbenzene derivative to 500 ppm or less in terms of metal atoms; a step of halogenating the branched alkyl group of the purified alkylbenzene derivative by a photohalogenation to obtain a (haloalkyl)benzene derivative; and a step of subjecting the (haloalkyl)benzene derivative to a halogen-fluorine exchange using HF in an amount of 10 mol or higher per one mole of the (haloalkyl)benzene derivative. The (fluoroalkyl)benzene derivative produced by the process is reduced in the content of impurities such as residual halogens and residual metals, and is useful as intermediates for functional chemical products for use in applications such as medicines and electronic materials.

The Relationship between 19F Substituent Chemical Shifts and Electron Densities: meta- and para-Substituted Benzoyl Fluorides

The 19F substituent chemical shifts (SCS) of meta- and para-benzoyl fluorides are found to correlate well with substituent parameters using the dual substituent parameter (DSP) equation, indicating that they reflect electronic perturbations induced by the substituent.The direction of the SCS values is such that donating substituents cause upfield shifts whilst acceptors cause downfield shifts.STO-3G calculations indicate that substituents induce only very small changes in ?-electron density about the fluorine atom, but that these changes correlate reasonably well with the observed SCS values.For the para series, the slope of the relationship between Δq?F and 19F SCS is 5000 ppm/electron, indicating the great sensitivity of the fluorine atom to small changes in electron density.