157652-31-8

Usage

Uses

Used in Organic Synthesis:
3,4-Difluoro-2-methylbenzoic acid is used as a key intermediate in organic synthesis for the production of various chemical compounds. Its unique structure allows for selective functionalization and modification, making it a valuable building block in the synthesis of complex organic molecules.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 3,4-difluoro-2-methylbenzoic acid serves as an essential raw material for the development of new drugs. Its chemical properties enable the creation of novel drug candidates with potential therapeutic applications.
Used in Agrochemicals:
3,4-Difluoro-2-methylbenzoic acid is utilized in the agrochemical industry for the synthesis of various pesticides and other agricultural chemicals. Its incorporation into these products can enhance their efficacy and selectivity, leading to improved crop protection and yield.
Used in Dye Industry:
In the dye industry, 3,4-difluoro-2-methylbenzoic acid is employed as a starting material for the production of various dyes and pigments. Its unique chemical structure contributes to the development of dyes with specific color properties and improved performance characteristics.
Used in Medicine Field:
3,4-Difluoro-2-methylbenzoic acid finds application in the medical field, where it is used in the development of diagnostic tools and therapeutic agents. Its chemical properties make it a promising candidate for the creation of novel medical products.
Used in Electronic Industry:
In the electronic industry, 3,4-difluoro-2-methylbenzoic acid is used in the development of advanced materials for electronic devices. Its unique properties can contribute to the creation of materials with improved electrical and thermal performance, enhancing the efficiency and reliability of electronic components.
Used in Polymer Material:
3,4-Difluoro-2-methylbenzoic acid is also utilized in the polymer material industry, where it is used to develop new polymers with specific properties. Its incorporation into polymer formulations can lead to materials with enhanced mechanical, thermal, and chemical resistance, making them suitable for a wide range of applications.

InChI:InChI=1/C8H6F2O2/c1-4-5(8(11)12)2-3-6(9)7(4)10/h2-3H,1H3,(H,11,12)

Upstream product

• 847502-81-2 1-bromo-3,4-difluoro-2-methyl-benzene 
• 124-38-9 carbon dioxide 
• 160775-14-4 3,4-difluoro-2-methylbenzoic acid methyl ester 
• 348-61-8 1-bromo-3,4-difluorobenzene 
• 3828-49-7 1,2-difluoro-3-methyl-benzene 
• 79-22-1 methyl chloroformate 

Downstream Products

• 1251150-14-7 C₂₅H₂₂FN₃O₄S 
• 1251156-08-7 [7-(6-aminopyridin-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl][3-fluoro-2-methyl-4-(methylsulfonyl)-phenyl]methanone 
• 118939-18-7 3-fluoro-2-methyl-4-(methylsulfonyl)benzoic acid 
• 118287-06-2 3-fluoro-2-methyl-4-(thiomethyl)benzoic acid 
• 1251164-88-1 3-fluoro-2-methyl-4-(methylsulfonyl)benzoyl chloride 
• 847502-86-7 (3,4-difluoro-2-methylphenyl)methanol 
• 1254073-20-5 7-[(3,4-difluoro-2-methylphenyl)carbonyl]-3-(1,2,4-thiadiazol-5-yl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine 
• 1254073-61-4 4-[(3,4-difluoro-2-methylphenyl)carbonyl]-2-piperazinone 
• 847502-84-5 3,4-difluoro-2-methylbenzaldehyde 

Relevant academic research and scientific papers

Synthetic method 3-4 -difluoro -2 - methylbenzoic acid and intermediate thereof

The invention relates to a preparation method of 3-4 -difluoro -2 -methylbenzoic acid and an intermediate thereof, belonging to the field of medicinal chemistry. The intermediate of 3, 4 - difluoro -2 - methylbenzoic acid is prepared by reacting a compound of formula (A) with a Lewis acid in carbon tetrachloride and then treating to obtain a compound of formula (B), wherein, R. 1 Be selected from chlorine. Bromine, iodine, the reactants of the reaction do not contain elementary halogen. The preparation method of 3-4 -difluoro -2 -methylbenzoic acid comprises the following steps: (B) subjecting the compound to hydrolysis reaction in water in the presence of an acid or a base, and then treating to obtain a compound of formula (C) wherein R. 1 Selected from chlorine, bromine, iodine. The invention provides a technical scheme for synthesizing 3 and 4 -difluoro -2 - methylbenzoic acid. The utility model avoids the use of toxic and harmful elementary halogen elements and Grignard reagents, and is safe and environment-friendly. Reaction conditions are mild, equipment requirements are not high, and industrial amplification production is facilitated.

Preparation method of baloxvir intermediate

The invention relates to a preparation method of a baloxvir intermediate, and belongs to the field of medicinal chemistry. The invention provides a preparation method of a baloxvir intermediate compound shown as a formula E and a baloxvir intermediate compound shown as a formula D. The preparation method of the compound shown as the formula E comprises the following steps: taking a compound of a formula A as a solvent, taking alkali as an acid-binding agent, reacting a compound of a formula B with carbon monoxide and the compound of the formula A under a pressurization condition under the action of a palladium-containing catalyst, and performing post-treatment to obtain the compound of the formula E. The preparation method of the compound shown as the formula D comprises the following steps: in the presence of a catalyst, in a mixed solvent containing water and an organic solvent mutually soluble with water, carrying out hydrolysis reaction on the compound shown as the formula E, and carrying out post-treatment to obtain the compound shown as the formula D. The preparation method of the baloxvir intermediate has the advantages of being safe, mild in reaction condition, easy to operate and the like.

Method for preparing baloxavir intermediate and intermediate obtained by method

The invention belongs to the technical field of chemical synthesis, and provides a method for preparing a balosavir intermediate. The method comprises the following steps: (1) methylating 3,4-difluorobromobenzene to obtain a compound A-1; (2) reacting the compound A-1 with a Grignard reagent, then introducing carbon dioxide gas for reaction, and adding acid for acidification to obtain a compound A-2; (3) brominating the compound A-2 to obtain a compound A-3; (4) adding diphenyl disulfide and a reducing agent 1 into THF, dropwise adding methanol, dropwise adding the compound A-3, and reacting to obtain a compound A-4; (5) carrying out ring closing reaction on the compound A-4 in polyphosphoric acid to obtain a compound A-5; and (6) reducing the compound A-5 into alcohol by adopting a reducing agent 2 to obtain a compound A-6. According to the method, highly toxic and foul thiophenol is prevented from being used while expensive reagents are prevented from being used, so that the processcost is reduced. The invention also provides an intermediate compound prepared by the method.

Xofluza sulfur-containing heterocyclic compound, intermediate and preparation method thereof

The invention discloses an Xofluza sulfur-containing heterocyclic compound, an intermediate and a preparation method thereof, and provides a preparation method of a compound represented by a formula 5. The preparation method is mild in reaction condition,

Preparation method of baloxavir intermediate

The invention relates to a preparation method of a baloxavir intermediate and belongs to the field of medicinal chemistry. With the compound (A) as an initial raw material, the method includes a halogenation reaction, a Grignard reaction, a halogenation r

Method for synthesizing 3,4-difluoro-2-methylbenzoic acid

The invention discloses a method for preparing 3,4-difluoro-2-methylbenzoic acid. 2,3-difluorotoluene used as a starting material reacts with carbon dioxide in the presence of anhydrous aluminum trichloride to obtain the 3,4-difluoro-2-methylbenzoic acid.

Process Development and Scale-Up of a Benzoxazepine-Containing Kinase Inhibitor

The benzoxazepine core is present in several kinase inhibitors, including the mTOR inhibitor 1. The process development for a scalable synthesis of 7-bromobenzoxazepine and the telescoped synthesis of 1 are reported. Compound 1 consists of three chemicall

Discovery of a novel class of highly potent, selective, ATP-competitive, and orally bioavailable inhibitors of the mammalian target of rapamycin (mTOR)

A series of novel, highly potent, selective, and ATP-competitive mammalian target of rapamycin (mTOR) inhibitors based on a benzoxazepine scaffold have been identified. Lead optimization resulted in the discovery of inhibitors with low nanomolar activity and greater than 1000-fold selectivity over the closely related PI3K kinases. Compound 28 (XL388) inhibited cellular phosphorylation of mTOR complex 1 (p-p70S6K, pS6, and p-4E-BP1) and mTOR complex 2 (pAKT (S473)) substrates. Furthermore, this compound displayed good pharmacokinetics and oral exposure in multiple species with moderate bioavailability. Oral administration of compound 28 to athymic nude mice implanted with human tumor xenografts afforded significant and dose-dependent antitumor activity.

5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS

The present invention provides a compound of formula (I) or a pharmaceutically acceptable salt thereof wherein A is hydrogen, C1-4alkyl, C3-6cycloalkyl, C1-3alkoxy, C1-3alkoxy C1-4alkyl, C1-2fluoroalkyl, halogen, NR6 R7, optionally substituted heteroaryl (Het), or optionally substituted phenyl, and R1, R2, R3, R4, R5, R6 and R7 are as defined in the description. The compounds or salts are thought to modulate P2X7 receptor function and to be capable of antagonizing the effects of ATP at the P2X7 receptor. The invention also provides the use of the compound or salt in the treatment or prophylaxis of, for example, inflammatory pain, neuropathic pain, visceral pain, rheumatoid arthritis, osteoarthritis or neurodegenerative disorders.

Difluoroalkylaromatics

The present invention relates to 3,4-difluoro-2-alkylaromatics and 2,4-difluoro-3-alkylaromatics, to a process for their preparation and to their use for preparing active ingredients.