157652-31-8

Basic information

• Product Name: 3,4-DIFLUORO-2-METHYLBENZOIC ACID
• Synonyms: 3,4-Difluoro-2-Methylbenzoic acid, 97+%;6-Carboxy-2,3-difluorotoluene, 3,4-Difluoro-o-toluic acid;3,4-DIFLUORO-2-METHYLBENZOIC ACID
• CAS NO: 157652-31-8
• Molecular Formula: C₈H₆F₂O₂
• Molecular Weight: 172.13
• Product Categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Fluorin-contained Benzoic acid series
• Mol File: 157652-31-8.mol
• Article Data: 11

Chemical Properties

• Melting Point: 152-156℃
• Boiling Point: 268 °C at 760 mmHg
• Flash Point: 115.9 °C
• Appearance: /
• Density: 1.359 g/cm³
• Vapor Pressure: 0.00392mmHg at 25°C
• Refractive Index: 1.511
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 3.52±0.25(Predicted)
• Water Solubility: Insoluble in water.
• CAS DataBase Reference: 3,4-DIFLUORO-2-METHYLBENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 3,4-DIFLUORO-2-METHYLBENZOIC ACID(157652-31-8)
• EPA Substance Registry System: 3,4-DIFLUORO-2-METHYLBENZOIC ACID(157652-31-8)

Safety Data

• Statements: 36/37/38
• Safety Statements: 26-36
• Hazardous Substances Data: 157652-31-8(Hazardous Substances Data)

Usage

Uses

3,4-Difluoro-2-methylbenzoic acid, is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff. It is also used in medicine field, electronic industry and polymer material.

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

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

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 
• 847502-84-5 3,4-difluoro-2-methylbenzaldehyde 
• 847502-82-3 3,4-difluoro-2-methylbenzoyl chloride 
• 160775-14-4 3,4-difluoro-2-methylbenzoic acid methyl ester 

Relevant articles and documents

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.

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,