28169-46-2

Basic information

• Product Name: 3,5-Dinitro-2-methylbenzoic acid
• Synonyms: 2-methyl-3,5-dinitro-benzoicaci;AKOS BB-9478;3,5-DINITRO-2-METHYLBENZOIC ACID;3,5-DINITRO-2-TOLUIC ACID;3,5-DINITRO-O-TOLUIC ACID;2-METHYL-3,5-DINITROBENZOIC ACID;3,5-Dinitro-o-Toluic Acid 2-Methyl-3,5-Dinitrobenzoic acid;3,5-DINITRO-O-TOLUIC ACID 99%
• CAS NO: 28169-46-2
• Molecular Formula: C₈H₆N₂O₆
• Molecular Weight: 226.14
• EINECS: 248-880-7
• Product Categories: Organic acids;C8;Carbonyl Compounds;Carboxylic Acids;FINE Chemical & INTERMEDIATES;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts
• Mol File: 28169-46-2.mol
• Article Data: 11

Chemical Properties

• Melting Point: 205-207 °C(lit.)
• Boiling Point: 367.74°C (rough estimate)
• Flash Point: 180.229 °C
• Appearance: light yellow fine crystalline powder
• Density: 1.6136 (rough estimate)
• Vapor Pressure: 2.72E-07mmHg at 25°C
• Refractive Index: 1.6000 (estimate)
• PKA: pK1:2.97 (25°C)
• Water Solubility: Soluble in water.
• BRN: 2622906
• CAS DataBase Reference: 3,5-Dinitro-2-methylbenzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3,5-Dinitro-2-methylbenzoic acid(28169-46-2)
• EPA Substance Registry System: 3,5-Dinitro-2-methylbenzoic acid(28169-46-2)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-37/39
• WGK Germany: 3
• TSCA: Yes
• Hazardous Substances Data: 28169-46-2(Hazardous Substances Data)

Usage

Description

3,5-Dinitro-2-methylbenzoic acid, also known as 2-Methyl-3,5-dinitrobenzoic acid, is a light yellow fine crystalline powder with chemical properties that make it suitable for various applications in the field of organic chemistry. It is a derivative of benzoic acid, featuring a methyl group at the 2nd position and two nitro groups at the 3rd and 5th positions.

Uses

Used in Organic Synthesis:
3,5-Dinitro-2-methylbenzoic acid is used as a key intermediate in the synthesis of heterocyclic derivatives, which are important compounds in the pharmaceutical and chemical industries. These heterocyclic derivatives have a wide range of applications, including medicinal chemistry, agrochemicals, and materials science.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 3,5-dinitro-2-methylbenzoic acid is used as a starting material for the synthesis of isoquinolone, a class of compounds with potential applications in the development of new drugs. Isoquinolone derivatives have been found to possess various biological activities, such as anti-inflammatory, analgesic, and anti-cancer properties.
Used in Chemical Research:
3,5-Dinitro-2-methylbenzoic acid is also utilized in chemical research for the development of new synthetic methods and the study of reaction mechanisms. Its unique structure allows for the exploration of various chemical transformations and the synthesis of novel compounds with potential applications in different fields.

Purification Methods

Crystallise the acid from H2O or aqueous EtOH. The ammonium salt forms yellow crystals from EtOH with m 218-219o, and the urea salt has m 189-190o (prisms from EtOH). [Beilstein 9 H 474, 9 II 323, 9 III 2316.]

InChI:InChI=1/C8H6N2O6/c1-4-6(8(11)12)2-5(9(13)14)3-7(4)10(15)16/h2-3H,1H3,(H,11,12)/p-1

Upstream product

• 118-90-1 ortho-methylbenzoic acid 
• 939-83-3 2-cyano-4-nitrotoluene 
• 1975-50-4 2-methyl-3-nitrobenzic acid 
• 52090-24-1 methyl 2-methyl-3,5-dinitrobenzoate 
• 1975-52-6 5-nitro-o-toluic acid 
• 7697-37-2 nitric acid 
• 527-85-5 o-Methylbenzamid 
• 59382-59-1 2-methyl-3-nitro-benzoic acid methyl ester 
• 89-71-4 2-Methyl-benzoic acid methyl ester 
• 77324-87-9 methyl 2-methyl-5-nitrobenzoate 

Downstream Products

• 52090-24-1 methyl 2-methyl-3,5-dinitrobenzoate 
• 4277-02-5 3,5-dinitrophthalic acid 
• 39614-85-2 2-methyl-3,5-dinitro-benzoyl chloride 
• 778606-92-1 2-methyl-3,5-dinitro-benzophenone 
• 27930-14-9 N,N,2-trimethyl-3,5-dinitrobenzamide 
• 27715-66-8 N,N-Diethyl-2-methyl-3,5-dinitrobenzamid 
• 58624-40-1 2-Methyl-3,5-dinitrobenzoesaeureanhydrid 
• 35572-78-2 2-amino-4,6-dinitrotoluene 
• 99-34-3 3,5-dinitrobenzoic acid 
• 88-89-1 2,4,6-Trinitrophenol 
• 5285-37-0 1-(2-methyl-3,5-dinitro-phenyl)-ethanone 
• 861306-33-4 3,5-diamino-2-(2-hydroxy-4-methyl-benzoyl)-benzoic acid 
• 861782-66-3 2-(2-hydroxy-4-methyl-benzoyl)-3,5-dinitro-benzoic acid 
• 148-01-6 zoalene 

Relevant articles and documents

Preparation method of 3, 5-dinitro-2-methylbenzoic acid

The invention discloses a preparation method of 3, 5-dinitro-2-methylbenzoic acid. The preparation method comprises the following steps: carrying out nitration reaction on o-toluic acid and nitrite in a mixed solvent of an organic solvent and water under the action of visible light by utilizing a supported photocatalyst, and carrying out post-treatment after the reaction is ended, thereby obtaining the 3, 5-dinitro-2-methylbenzoic acid. The method has the characteristics that the raw materials are easy to obtain, the reaction conditions are mild and easy to control, the catalyst can be recycled, the yield is high, and the method is relatively environment-friendly, and has important application significance.

Synthesis method of zoalene

The invention discloses a synthesis method of zoalene, belonging to the technical field of pharmaceutical engineering. The method comprises the following steps: A. nitration process, B. acylating chlorination process, and C. ammonifying process, wherein in the step A, a process of recycling concentrated sulfuric acid is set, specifically, the collected waste acid is treated by reduced pressure distillation and is concentrated, sulfur trioxide is then added into the treated waste acid, and the newly prepared concentrated sulfuric acid is added into a reaction kettle again for carrying out a nitration reaction; in the step C, a process of recycling waste ammonia water is set. By recycling and reusing raw materials, the method does not cause accumulative increment of sulfuric acid and ammonia water, thus improving the utilization rate of the raw materials and lowering the production cost; furthermore, the method reduces the treatment cost of the waste acid and the waste ammonia water and greatly reduces the discharge amount of waste water, thus having an important significance for environmental protection.

Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases

The present invention relates to pharmaceutical compositions comprising an inhibitor of epithelial sodium channel activity in combination with at least one ABC Transporter modulator compound of Formula A, Formula B, Formula C, or Formula D. The invention also relates to pharmaceutical formulations thereof, and to methods of using such compositions in the treatment of CFTR mediated diseases, particularly cystic fibrosis using the pharmaceutical combination compositions.