4-Aminoisophthalic acid

Base Information

• Chemical Name: 4-Aminoisophthalic acid
• CAS No.: 33890-03-8
• Molecular Formula: C8H7NO4
• Molecular Weight: 181.148
• Hs Code.: 29173990
• ChEMBL ID: CHEMBL3278363
• DSSTox Substance ID: DTXSID70463305
• Nikkaji Number: J88.891E
• Wikidata: Q72437914
• Mol file: 33890-03-8.mol

Synonyms:4-Aminoisophthalic acid;33890-03-8;4-aminobenzene-1,3-dicarboxylic Acid;4-AMINOBENZENE-1,3-DIOIC ACID;MFCD00102008;4-Aminoisophthalicacid;1,3-Benzenedicarboxylic acid, 4-amino-;4-amino isophthalic acid;4-amino-isophthalic acid;5-carboxyanthranilic acid;SCHEMBL265109;CHEMBL3278363;DTXSID70463305;BDBLLWHZWCBDAR-UHFFFAOYSA-N;AKOS002677164;1,3-Benzenedicarboxylic acid,4-amino-;AS-45754;BL002650;CS-0159419;FT-0687125;EN300-114699;Z1198150607

Chemical Property of 4-Aminoisophthalic acid

Chemical Property:

• Vapor Pressure: 3.47E-09mmHg at 25°C
• Melting Point: 336-337 ºC
• Refractive Index: 1.684
• Boiling Point: 458.1 °C at 760 mmHg
• PKA: 4.49±0.10(Predicted)
• Flash Point: 230.8 °C
• PSA: 100.62000
• Density: 1.551 g/cm³
• LogP: 1.24640
• XLogP3: 0.5
• 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%,99%, ^*data from raw suppliers

4-Aminobenzene-1,3-dicarboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(=O)O)C(=O)O)N

Technology Process of 4-Aminoisophthalic acid

There total 17 articles about 4-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: 95.7%

4-amino-3-(methoxycarbonyl)benzoic acid (41684-07-5) → 4-aminoisophthalic acid (33890-03-8)

Guidance literature:

With lithium hydroxide; In 1,4-dioxane; water; at 100 ℃; for 1h;

Reference yield: 94.0%

C18H10N2O6 (125376-17-2) → 4-aminoisophthalic acid (33890-03-8)

Guidance literature:

C₁₈H₁₀N₂O₆; With bromamine B; sodium hydroxide; palladium dichloride; In water; acetonitrile; at 60 ℃; for 3.66667h; pH=12;

In water; Acidic conditions;

DOI:10.1080/00397910903457274

Reference yield: 92.0%

1H-Indole-5-carboxylic acid (1670-81-1,142396-03-0) → 4-aminoisophthalic acid (33890-03-8)

Guidance literature:

1H-Indole-5-carboxylic acid; With bromamine B; sodium hydroxide; palladium dichloride; In water; acetonitrile; at 60 ℃; for 3.83333h; pH=12;

In water; Acidic conditions;

DOI:10.1080/00397910903457274

upstream raw materials:

4-acetamidoisophthalic acid

monoamide of trimellitic acid

4-nitroisophthalic acid

dimethyl 4-aminoisophthalate

Downstream raw materials:

dimethyl 4-aminoisophthalate

3-benzylidene-1,2,3,9-tetrahydro-9-oxopyrrolo<2,1-b>quinazoline-7-carboxylic acid, methyl ester

3-(3'-methylbenzylidene)-1,2,3,9-tetrahydro-9-oxopyrrolo<2,1-b>quinazoline-7-carboxylic acid, methyl ester

3-(4'-methylbenzylidene)-1,2,3,9-tetrahydro-9-oxopyrrolo<2,1-b>quinazoline-7-carboxylic acid, methyl ester

Refernces

• 1、 Cheng, Xinlai,Merz, Karl-Heinz,Vatter, Sandra,Zeller, Jochen,Muehlbeyer, Stephan,Thommet, Andrea,Christ, Jochen,W?lfl, Stefan,Eisenbrand, Gerhard. "Identification of a Water-Soluble Indirubin Derivative as Potent Inhibitor of Insulin-like Growth Factor 1 Receptor through Structural Modification of the Parent Natural Molecule". . p. 4949 - 4962. Retrieved 2017/06/28.
• 2、 Karthikeyan,Jagadeesh, Rajenahally V.,Sree Sandhya,Puttaswamy,Nithya,Kumar, S. Senthil,Bhagat. "Catalysis and mechanistic studies of ruthenium and osmium on synthesis of anthranilic acids". experimental part. p. 34 - 46. Retrieved 2011/09/16.