168899-58-9

Basic information

• Product Name: 3-Acetoxy-o-toluic acid
• Synonyms: AMBA;3-ACETOXY-2-METHYLBENZOIC ACID;3-ACETOXY-O-TOLUIC ACID;2-METHYL-3-ACETOXYBENZOIC ACID;3-Acetoxy-2-methylbenzoic;3-Acetoxy-2-methylbenzoic acid (AMBA);2-methyl-3-acetoxy benzoic acid(3-acetoxy -2-methylbenzoic acid);Methylacetoxybenzoicacid
• CAS NO: 168899-58-9
• Molecular Formula: C₁₀H₁₀O₄
• Molecular Weight: 194.18
• EINECS: -0
• Product Categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Organic acids;Aromatics Compounds;Aromatics;C10;Carbonyl Compounds;Carboxylic Acids;Intermediates
• Mol File: 168899-58-9.mol
• Article Data: 8

Chemical Properties

• Melting Point: 149-151 °C(lit.)
• Boiling Point: 337 °C at 760 mmHg
• Flash Point: 134.1 °C
• Appearance: White to yellow to brown/Crystalline Powder or Powder
• Density: 1.245 g/cm³
• Vapor Pressure: 4.23E-05mmHg at 25°C
• Refractive Index: 1.545
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: Acetone, Methanol
• PKA: 3.69±0.10(Predicted)
• BRN: 3271605
• CAS DataBase Reference: 3-Acetoxy-o-toluic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Acetoxy-o-toluic acid(168899-58-9)
• EPA Substance Registry System: 3-Acetoxy-o-toluic acid(168899-58-9)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• Hazardous Substances Data: 168899-58-9(Hazardous Substances Data)

Usage

Chemical Properties

Light Yellow Crystalline Solid

Uses

An intermediate in the preparation of small-sized HIV protease inhibitors

InChI:InChI=1/C10H10O4/c1-6-8(10(12)13)4-3-5-9(6)14-7(2)11/h3-5H,1-2H3,(H,12,13)

Upstream product

• 603-80-5 3-hydroxy 2-methylbenzoic acid 
• 10533-44-5 trisodium 1,3,5-naphthalenetrisulfonate 
• 108-24-7 acetic anhydride 
• 1975-50-4 2-methyl-3-nitrobenzic acid 

Downstream Products

• 521275-18-3 acetic acid 3-(N'-benzyl-hydrazinocarbonyl)-2-methyl-phenyl ester 
• 767341-31-1 Acetic acid 3-[(R)-1-((S)-2,2-dimethyl-[1,3]dioxolan-4-yl)-2-phenylsulfanyl-ethylcarbamoyl]-2-methyl-phenyl ester 

Relevant articles and documents

Method of making HIV protease inhibitors

A method of making HIV protease inhibitors of general formula (1): These HIV compounds inhibit or block the biological activity of the HIV protease enzyme, causing the replication of the HIV virus to terminate. These compounds, as well as pharmaceutical compositions that contain these compounds and optically other antiviral agents as active ingredients, are suitable for treating patients or hosts infected with the HIV virus, which is known to cause AIDS.

Process for producing amide derivatives and intermediates therefor

PCT No. PCT/JP96/02756 Sec. 371 Date Apr. 14, 1998 Sec. 102(e) Date Apr. 14, 1998 PCT Filed Sep. 24, 1996 PCT Pub. No. WO97/11937 PCT Pub. Date Apr. 3, 1997A method for producing an amide derivative of the formula [XV] wherein each symbol is as defined in the specification, and an enantiomer thereof, a novel intermediate useful for producing said compound and a production method thereof. The production method of the present invention is extremely easy and simple as compared to the conventional methods, and enables effective production of compound [XV] at high yields, which includes compound [XVI] having an HIV protease inhibitory action. In addition, the novel intermediates of the present invention are extremely useful as intermediates for producing not only the aforementioned compound [XVI] but also compounds useful as X-ray contrast media.

Process for the preparation of 3-acetoxy-2-methylbenzoyl chloride

The present invention relates to a process for the preparation of 3-acetoxy-2-methylbenzoyl chloride by reacting an alkali metal salt of 3-aminonaph-thalene-1,5-disulfonic acid with alkali metal hydroxide and water in the weight ratio 1:(1 to 1.6):(1 to 1