2-Aminoisophthalic acid

Base Information

• Chemical Name: 2-Aminoisophthalic acid
• CAS No.: 39622-79-2
• Molecular Formula: C8H7NO4
• Molecular Weight: 181.148
• Hs Code.: 2922499990
• European Community (EC) Number: 674-256-2
• NSC Number: 159117
• DSSTox Substance ID: DTXSID70303575
• Nikkaji Number: J89.298J
• Wikidata: Q72438495
• Mol file: 39622-79-2.mol

Synonyms:2-aminoisophthalic acid;39622-79-2;2-aminobenzene-1,3-dicarboxylic acid;2-aminoisophthalicacid;1,3-BENZENEDICARBOXYLIC ACID, 2-AMINO-;MFCD00817808;2-aminoiophthalic acid;aminoisophthalic acid;NSC159117;o-aminoisophthalic acid;SCHEMBL526919;DTXSID70303575;LDOMKUVUXZRECL-UHFFFAOYSA-N;BBL100368;CL8021;STL554162;AKOS000266750;AM83991;MB01489;NSC-159117;PS-8533;SY013787;CS-0008233;FT-0644576;FT-0676506;EN300-197857;A873610;J-508048;W-202635;Z1201620627

Chemical Property of 2-Aminoisophthalic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 312-315°C
• Refractive Index: 1.684
• Boiling Point: 429.7 °C at 760 mmHg
• PKA: 4.27±0.10(Predicted)
• Flash Point: 213.7 °C
• PSA: 100.62000
• Density: 1.551 g/cm³
• LogP: 1.24640
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 181.03750770
• Heavy Atom Count: 13
• Complexity: 206

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-AminoisophthalicAcid ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Aminoisophthalic acid

There total 13 articles about 2-Aminoisophthalic 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: 73.0%

isatin-7-carboxylic acid (25128-35-2) → 2-aminoisophthalic acid (39622-79-2)

Guidance literature:

With sodium hydroxide; dihydrogen peroxide; at 20 ℃; for 2h;

DOI:10.1021/jm030253d

Reference yield:

2-hydroxyoxalylamino-isophthalic acid → 2-aminoisophthalic acid (39622-79-2)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/ja01130a051

Reference yield:

methyl 2-{[(hydroxyimino)acetyl]amino}benzoate (63016-87-5) → 2-aminoisophthalic acid (39622-79-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 78 percent / conc. H₂SO₄ / 1 h / 95 °C

2: 73 percent / aq. H₂O₂; NaOH / 2 h / 20 °C

With sodium hydroxide; sulfuric acid; dihydrogen peroxide;

DOI:10.1021/jm030253d

upstream raw materials:

2-nitroisophthalic acid

2-acetamidoisophthalic acid

2-benzoylamino-isophthalic acid

2,6-dimethylaniline

Downstream raw materials:

2-iodoyl-1,3-benzenedicarboxylic acid

8-carboxyisatoic anhydride

9-Oxoacridan-4-carboxylic acid

N-(2.3-Xylyl)2-aminoisophthalsaeure

Refernces

• 1、 Shelly, Kevin P.,Venimadhavan, S.,Nagarajan, K.,Stewart, Ross. "General acid catalysis in the enolization of acetone". . p. 1274 - 1282. Retrieved 2007/10/02.
• 2、 D'Rozario, A. Peter,Greig, Derek J.,Hudson, Robert F.,Williams, Andrew. "Stepwise Proton Transfer in the Acid-catalysed Hydrolysis of 3,1-Benzoxazin-4-ones: Electrostatic or hydrogen-bond Stabilisation of the Conjugate Acid". . p. 590 - 596. Retrieved 2007/10/02.