2-Amino-6-methylbenzoic acid

Base Information

• Chemical Name: 2-Amino-6-methylbenzoic acid
• CAS No.: 4389-50-8
• Molecular Formula: C8H9NO2
• Molecular Weight: 151.165
• Hs Code.: 29224999
• European Community (EC) Number: 629-030-8
• DSSTox Substance ID: DTXSID90195979
• Nikkaji Number: J80.816D
• Wikidata: Q27456450
• Mol file: 4389-50-8.mol

Synonyms:6-methylanthranilate;6-methylanthranilic acid;6-methylanthranilic acid, diolamine

Chemical Property of 2-Amino-6-methylbenzoic acid

Chemical Property:

• Appearance/Colour: Pale yellow powder
• Vapor Pressure: 0.000189mmHg at 25°C
• Melting Point: 128-130 °C (dec.)(lit.)
• Refractive Index: 1.5810 (estimate)
• Boiling Point: 315.1 °C at 760 mmHg
• PKA: 1.95±0.31(Predicted)
• Flash Point: 144.4 °C
• PSA: 63.32000
• Density: 1.254 g/cm³
• LogP: 1.85660
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: Soluble in methanol.
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 151.063328530
• Heavy Atom Count: 11
• Complexity: 158

Purity/Quality:

99% ^*data from raw suppliers

2-Amino-6-methylbenzoic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)N)C(=O)O
• Uses: 2-Amino-6-methylbenzoic acid reacts with cyanogen bromide to prepare 2-amino-5-methyl-benzo[d][1,3]oxazin-4-one.

Technology Process of 2-Amino-6-methylbenzoic acid

There total 10 articles about 2-Amino-6-methylbenzoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

2-methyl-6-nitrobenzoic acid (13506-76-8) → 2-amino-6-methylbenzoic acid (4389-50-8)

Guidance literature:

palladium;

Reference yield: 59.0%

2,3-dimethylnitrobenzene (83-41-0) → 2-amino-6-methylbenzoic acid (4389-50-8)

Guidance literature:

With selenium; nitrobenzene; lithium tert-butoxide; In methanol; water; dimethyl sulfoxide; at 90 ℃; for 5h; Inert atmosphere;

DOI:10.1039/d0gc04407e

Reference yield:

2-methyl-6-nitro-benzoic acid amide (40637-78-3) → 2-amino-6-methylbenzoic acid (4389-50-8)

Guidance literature:

With hydrogenchloride; tin;

upstream raw materials:

2-methyl-6-nitro-benzoic acid amide

2-methyl-6-nitrobenzoic acid

4-methyl-1H-indole-2,3-dione

dihydrogen peroxide

Downstream raw materials:

2-(5-Chloro-2-nitro-phenylamino)-6-methyl-benzoic acid

2-(2-Carboxy-phenylamino)-6-methyl-benzoic acid

2-(benzyloxycarbonylamino)-6-methylbenzoic acid

6-Propionamido-o-toluylsaeure

Refernces

• 1、 Jiang, Xuefeng,Li, Yiming,Lin, Zhenyang,Wang, Yuhong,Yang, Tilong. "Selenium-catalyzed intramolecular atom- And redox-economical transformation ofo-nitrotoluenes into anthranilic acids". supporting information. p. 2986 - 2991. Retrieved 2021/05/05.
• 2、 -. "4-HETEROARYL SUBSTITUTED BENZOIC ACID COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF". Page/Page column 67. . Retrieved 2014/03/22.