4-Amino-2-methylbenzoic acid

Base Information

• Chemical Name: 4-Amino-2-methylbenzoic acid
• CAS No.: 2486-75-1
• Molecular Formula: C8H9NO2
• Molecular Weight: 151.165
• Hs Code.: 29224999
• European Community (EC) Number: 627-987-6
• NSC Number: 49299
• DSSTox Substance ID: DTXSID80287155
• Nikkaji Number: J80.504A
• Wikidata: Q72439154
• ChEMBL ID: CHEMBL3278339
• Mol file: 2486-75-1.mol

Synonyms:4-amino-2-methylbenzoic acid;2486-75-1;4-Amino-2-methyl-benzoic acid;Benzoic acid, 4-amino-2-methyl-;MFCD06656133;2-methyl-4-aminobenzoic acid;2-methyl-4-amino-benzoic acid;4-Amino-2-methyl benzoic acid;4-Amino-o-toluic Acid;NSC49299;Methyl-p-aminobenzoesaure;methyl-4-amino benzoic acid;SCHEMBL99201;CHEMBL3278339;DTXSID80287155;BCP24561;BBL100078;NSC 49299;NSC-49299;STL220794;4-Amino-2-methylbenzoic acid, 95%;AKOS005145866;AC-2912;CS-W003296;SB36168;SY003329;TS-01987;AM20060573;FT-0647670;EN300-58860;AE-562/43286946;J-514337;Z877640950

Chemical Property of 4-Amino-2-methylbenzoic acid

Chemical Property:

• Appearance/Colour: white or yellow crystal
• Vapor Pressure: 3.56E-05mmHg at 25°C
• Melting Point: 160-165 °C
• Refractive Index: 1.618
• Boiling Point: 339.5 °C at 760 mmHg
• PKA: 4.86±0.25(Predicted)
• Flash Point: 159.1 °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: 1.1
• 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:

98.0%min ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)N)C(=O)O

Technology Process of 4-Amino-2-methylbenzoic acid

There total 10 articles about 4-Amino-2-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: 98.0%

2-methyl-4-nitrobenzoic acid (1975-51-5) → 4-amino-2-methylbenzoic acid (2486-75-1)

Guidance literature:

With 5%-palladium/activated carbon; hydrogen; In ethanol; under 12001.2 Torr; Flow reactor;

DOI:10.1016/j.tet.2018.09.025

Reference yield: 95.6%

4-amino-2-methylbenzonitrile (72115-06-1) → 4-amino-2-methylbenzoic acid (2486-75-1)

Guidance literature:

With water; sodium hydroxide; In ethylene glycol; at 100 ℃; for 6h;

Reference yield:

5-nitro-3H-isobenzofuran-1-one (67081-02-1) → 4-amino-2-methylbenzoic acid (2486-75-1)

Guidance literature:

With phosphorus; hydrogen iodide; at 205 ℃;

upstream raw materials:

5-nitro-3H-isobenzofuran-1-one

2-methyl-4-nitrobenzoic acid

hydrogenchloride

4-acetylamino-2-methylbenzoic acid

Downstream raw materials:

2-methyl-4-(2-methylbenzoylamino)benzoic acid

4-[(tert-butoxycarbonyl)amino]-2-methylbenzoic acid

Refernces

• 1、 -. "A [...] intermediate 2 - methyl - 4 - N - (2 - methyl benzoyl) benzoic acid". Paragraph 0020. . Retrieved 2019/07/04.
• 2、 -. "QUATERNARY AMMONIUM SALT COMPOUNDS". Page/Page column 26. . Retrieved 2012/03/10.