2-Aminoterephthalic acid

Base Information

• Chemical Name: 2-Aminoterephthalic acid
• CAS No.: 10312-55-7
• Molecular Formula: C8H7NO4
• Molecular Weight: 181.148
• Hs Code.: 29224999
• European Community (EC) Number: 629-480-5
• DSSTox Substance ID: DTXSID60369241
• Nikkaji Number: J81.486E
• Wikidata: Q27451639
• Mol file: 10312-55-7.mol

Synonyms:2-Aminoterephthalic acid;10312-55-7;2-aminobenzene-1,4-dicarboxylic acid;AMINOTEREPHTHALIc acid;2-Amino-1,4-benzenedicarboxylic acid;1,4-Benzenedicarboxylic acid, 2-amino-;4-carboxyanthranilic acid;MFCD00134536;2,5-Dicarboxyaniline;2-aminoterephthalic;2-Aminoterephthalicacid;2-Aminoterephtalic acid;2-amino terephthalic acid;2-amino-terephthalic acid;AMINOTEREPHTALIC ACID;Aminoterephthalic acid,99%;Oprea1_602656;YSWG078;BIDD:GT0245;SCHEMBL143267;2-Aminoterephthalic acid, 99%;DTXSID60369241;BCP22922;BBL028258;STK417959;AKOS003302577;AM84132;CS-W004675;PS-4722;methyl?tetrahydro-2H-pyran-2-carboxylate;SY011203;A1291;FT-0636675;EN300-104456;J-514427;Q27451639;F0001-0085;InChI=1/C8H7NO4/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13

Chemical Property of 2-Aminoterephthalic acid

Chemical Property:

• Appearance/Colour: slight yellow crystalline powder
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 324 °C (dec.)(lit.)
• Refractive Index: 1.5468 (estimate)
• Boiling Point: 450.7 °C at 760 mmHg
• PKA: 3.95±0.10(Predicted)
• Flash Point: 226.4 °C
• PSA: 100.62000
• Density: 1.551 g/cm³
• LogP: 1.24640
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Water Solubility.: Slightly soluble in water.
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 181.03750770
• Heavy Atom Count: 13
• Complexity: 228

Purity/Quality:

98% ^*data from raw suppliers

2-Aminoterephthalic acid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(=O)O)N)C(=O)O
• Uses: 2-Aminoterephthalic acid is used as a pharmaceutical intermediate.

Technology Process of 2-Aminoterephthalic acid

There total 28 articles about 2-Aminoterephthalic 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-nitroterephthalic acid (610-29-7) → 3-aminoterephthalic acid (10312-55-7)

Guidance literature:

With potassium hydroxide; hydrogen; palladium on activated charcoal; In water; for 12h; under 2585.7 Torr;

DOI:10.1021/jo00253a010

Reference yield: 94.0%

dimethyl aminoterephthalate (5372-81-6) → 3-aminoterephthalic acid (10312-55-7)

Guidance literature:

With water; sodium hydroxide; In methanol; at 60 ℃; for 3h;

Reference yield: 71.0%

4-methyl-3-nitrobenzoic acid (96-98-0) → 3-aminoterephthalic acid (10312-55-7)

Guidance literature:

With selenium; nitrobenzene; sodium hydroxide; In methanol; water; dimethyl sulfoxide; at 90 ℃; for 5h; Inert atmosphere;

DOI:10.1039/d0gc04407e

upstream raw materials:

menthol

2-nitroterephthalic acid

monoamide of trimellitic acid

2-acetamidoterephthalic acid

Downstream raw materials:

2-acetamidoterephthalic acid

4-oxo-3,4-dihydroquinazoline-7-carboxylic acid

12-Oxo-6,7,8,9,10,12-hexahydro-azepino[2,1-b]quinazoline-3-carboxylic acid

2-(2-Methoxycarbonyl-phenylamino)-terephthalic acid

Refernces

• 1、 Becht, Jean-Michel,Enneiymy, Mohamed,Fioux, Philippe,Le Drian, Claude,Matei Ghimbeu, Camelia. "Palladium nanoparticles embedded in mesoporous carbons as efficient, green and reusable catalysts for mild hydrogenations of nitroarenes". . p. 36741 - 36750. Retrieved 2020.
• 2、 Jiang, Xuefeng,Li, Yiming,Lin, Zhenyang,Wang, Yuhong,Yang, Tilong. "Selenium-catalyzed intramolecular atom- And redox-economical transformation ofo-nitrotoluenes into anthranilic acids". . p. 2986 - 2991. Retrieved 2021.
• 3、 Chen, Hongwen,Chen, Huaqiang,Zhang, Bo,Jiang, Liming,Shen, Youqing,Fu, Engang,Zhao, Dan,Zhou, Zhuxian. "Tuning the release rate of volatile molecules by pore surface engineering in metal-organic frameworks". supporting information. p. 1988 - 1992. Retrieved 2021/03/24.