5-Aminoisophthalic acid

Base Information

• Chemical Name: 5-Aminoisophthalic acid
• CAS No.: 99-31-0
• Molecular Formula: C8H7NO4
• Molecular Weight: 181.148
• Hs Code.: 29224995
• European Community (EC) Number: 202-748-5
• NSC Number: 60141
• UNII: 5R25Y7Y34D
• DSSTox Substance ID: DTXSID7059193
• Nikkaji Number: J27.656A
• Wikidata: Q72438501
• Mol file: 99-31-0.mol

Synonyms:5-aminoisophthalic acid

Chemical Property of 5-Aminoisophthalic acid

Chemical Property:

• Appearance/Colour: Off-white crystalline powder
• Vapor Pressure: 1.98E-11mmHg at 25°C
• Melting Point: >300 °C(lit.)
• Refractive Index: 1.5468 (estimate)
• Boiling Point: 514.9 °C at 760 mmHg
• PKA: 3.69±0.10(Predicted)
• Flash Point: 265.2 °C
• PSA: 100.62000
• Density: 1.551 g/cm³
• LogP: 1.24640
• Storage Temp.: Store below +30°C.
• Water Solubility.: INSOLUBLE
• XLogP3: 0.3
• 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:

>95% ^*data from raw suppliers

5-Aminoisophthalic Acid Hydrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Amines, Aromatic
• Canonical SMILES: C1=C(C=C(C=C1C(=O)O)N)C(=O)O
• Description: It is usually used as the intermediate or raw material in the organic synthesis. For example, this chemical can be selected as the raw material to prepare three lanthanide metal organic frameworks (MOFs) with typical structural features of one-dimensional ladder-like chain, two-dimensional layer, and three-dimensional framework.1 Moreover, this substance is chosen as the reactant to fabricate new metal complexes with 5-(1H-imidazol-4-ylmethyl)aminoisophthalic acid, which have good electrocatalytic activities toward the reduction of H2O2 in phosphate buffer (pH=5.5) solution.2 In addition, as the active reactant, this chemical has been demonstrated to assist in the synthesis of a chiral, radically homopolymerizable methacrylamide dendrimer with eight ester groups.3
• Uses: 5-Aminoisophthalic acid is a useful biochemical for proteomics research.

Technology Process of 5-Aminoisophthalic acid

There total 6 articles about 5-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: 95.0%

5-nitrobenzene-1,3-dicarboxylic acid (618-88-2) → 5-aminoisophthalic acid (99-31-0)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; at 20 ℃; for 1h; under 760 Torr;

DOI:10.1080/15257779908043075

Reference yield:

N,N'-bis(3,5-dicarboxylatophenyl)pyromelliticdiimide → 1,2,4,5-benzenetetracarboxylic acid (89-05-4) + 5-aminoisophthalic acid (99-31-0)

Guidance literature:

Heating;

DOI:10.1016/j.molstruc.2018.05.092

Reference yield:

5-nitrobenzene-1,3-dicarboxylic acid (618-88-2) + pyrographite (7440-44-0) → 5-aminoisophthalic acid (99-31-0)

Guidance literature:

With sodium hydroxide; nitrogen; hydrogen; palladium-carbon; In water;

upstream raw materials:

5-nitrobenzene-1,3-dicarboxylic acid

hydrogenchloride

pyrographite

Downstream raw materials:

di[2-(N-ethylanilino)ethyl] 5-aminoisophthalate

3,5-dicarboxyphenylhydrazine hydrochloride

N,N'-diisophthalyl-4,4'-disulfanyldibenzamide

C₃₅H₂₂N₄O₁₃

Refernces

• 1、 Fan, Liming,Wang, Jiang,Zhao, Li,Zhang, Yujuan,Wang, Xiaoqing,Hu, Tuoping,Zhang, Xiutang. "Structural diversity and luminescent sensing of three coordination polymers based on the hydrolysates of N,N′-bis(3,5-dicarboxylatophenyl)pyromelliticdi-imide)". . p. 54 - 61. Retrieved 2018/06/19.
• 2、 -. "Naaladase inhibitors for treating retinal disorders and glaucoma". . . Retrieved 2008/06/13.