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

Chemical Properties

light yellow fine crystalline powder

Uses

2-Methyl-3,5-dinitrobenzoic acid was used to synthesis heterocyclic derivatives and in the synthesis of isoquinolone.

General Description

Synthesis of a series of heterocyclic derivatives of 3,5-dinitro-o-toluic acid has been reported.

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

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

Downstream Products

• 52090-24-1 methyl 2-methyl-3,5-dinitrobenzoate 
• 99-34-3 3,5-dinitrobenzoic acid 
• 4277-02-5 3,5-dinitrophthalic acid 
• 88-89-1 2,4,6-Trinitrophenol 
• 103955-98-2 2-(2-dimethylamino-vinyl)-3,5-dinitro-benzoic acid methyl ester 
• 35572-78-2 2-amino-4,6-dinitrotoluene 
• 27930-14-9 N,N,2-trimethyl-3,5-dinitrobenzamide 
• 103956-00-9 methyl 6-amino-1H-indole-4-carboxylate 
• 1476030-84-8 3-(2-chlorophenyl)-5,7-dinitro-3,4-dihydronaphthalene-2-carbaldehyde 
• 80866-94-0 2-methyl-3,5-dinitrobenzyl alcohol 

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.