4-Aminophthalic acid

Base Information

• Chemical Name: 4-Aminophthalic acid
• CAS No.: 5434-21-9
• Molecular Formula: C8H7NO4
• Molecular Weight: 181.148
• Hs Code.: 29224999
• European Community (EC) Number: 226-596-4
• NSC Number: 15742
• UNII: TZ6K337ZYS
• DSSTox Substance ID: DTXSID8063880
• Nikkaji Number: J81.029K
• Wikidata: Q72440987
• ChEMBL ID: CHEMBL3278349
• Mol file: 5434-21-9.mol

Synonyms:4-aminophthalate;4-aminophthalic acid

Chemical Property of 4-Aminophthalic acid

Chemical Property:

• Appearance/Colour: Beige powder
• Vapor Pressure: 1.88E-09mmHg at 25°C
• Melting Point: 344 °C (dec.)(lit.)
• Boiling Point: 465.1 °C at 760 mmHg
• PKA: 3.41±0.10(Predicted)
• Flash Point: 235.1 °C
• PSA: 100.62000
• Density: 1.551 g/cm³
• LogP: 1.24640
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 0.7
• 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

4-Aminophthalic Acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1N)C(=O)O)C(=O)O

Technology Process of 4-Aminophthalic acid

There total 12 articles about 4-Aminophthalic 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: 96.0%

4-nitrophthalic acid (610-27-5) → 4-aminophthalic acid (5434-21-9)

Guidance literature:

With hydrogen; 5%-palladium/activated carbon; In ethanol; at 20 ℃; for 3h;

Reference yield: 87.0%

4-Nitrophthalonitrile (31643-49-9) → 4-aminophthalic acid (5434-21-9)

Guidance literature:

With hydrogenchloride; iron; In methanol; water; for 0.5h;

Reference yield: 75.0%

ethyl 5-benzamido-2-(trifluoromethyl)benzoate (1609672-16-3) → 4-aminophthalic acid (5434-21-9)

Guidance literature:

With sodium hydroxide; In ethanol; water; for 6h; Reflux;

DOI:10.1002/ejoc.201301485

upstream raw materials:

4-nitrophthalic acid

dimethyl 4-nitrophthalate

4-amino-N-methylphthalimide

hydrogenchloride

Downstream raw materials:

4-chlorophthalic acid

meta-aminobenzoic acid

N-(1,3-dioxo-1,3-dihydroisobenzofuran-5-yl)-acetamide

4-amino-N-phenylphthalimide