4-Aminophenyl 4-aminobenzoate

Base Information

• Chemical Name: 4-Aminophenyl 4-aminobenzoate
• CAS No.: 20610-77-9
• Molecular Formula: C13H12N2O2
• Molecular Weight: 228.25
• Hs Code.: 2922499990
• European Community (EC) Number: 810-934-8
• DSSTox Substance ID: DTXSID50573274
• Nikkaji Number: J767.067B
• Wikidata: Q72440445
• Mol file: 20610-77-9.mol

Synonyms:4-Aminophenyl 4-aminobenzoate;20610-77-9;4-aminobenzoic acid 4-aminophenyl ester;(4-aminophenyl) 4-aminobenzoate;Phenol, 4-amino-, 1-(4-aminobenzoate);MFCD16038468;4-Aminobenzoic acid 4-aminophenyl ester (APAB);4-aminophenyl4-aminobenzoate;SCHEMBL347429;DTXSID50573274;BCP29468;AKOS015915351;DS-3191;SB79946;SY055265;4-Amino-benzoic acid 4-amino-phenyl ester;CS-0157506;F19889;A814745

Chemical Property of 4-Aminophenyl 4-aminobenzoate

Chemical Property:

• Melting Point: 179.0 to 183.0 °C
• Boiling Point: 465.646 °C at 760 mmHg
• PKA: 4.01±0.10(Predicted)
• Flash Point: 254.224 °C
• PSA: 78.34000
• Density: 1.287 g/cm³
• LogP: 3.23260
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 228.089877630
• Heavy Atom Count: 17
• Complexity: 254

Purity/Quality:

99% ^*data from raw suppliers

4-Aminophenyl 4-Aminobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)N)N

Technology Process of 4-Aminophenyl 4-aminobenzoate

There total 6 articles about 4-Aminophenyl 4-aminobenzoate 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: 99.0%

4-nitrophenyl 4-nitrobenzoate (1037-31-6) → 4-aminophenyl 4'-aminobenzoate (20610-77-9)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In ethyl acetate;

Reference yield:

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) → 4-aminophenyl 4'-aminobenzoate (20610-77-9)

Guidance literature:

Multi-step reaction with 2 steps

1: dicyclohexylcarbodiimide; DMAP / CH₂Cl₂ / 18 h

2: H₂ / palladium on carbon / tetrahydrofuran / 1034.32 Torr

With dmap; hydrogen; dicyclohexyl-carbodiimide; palladium on activated charcoal; In tetrahydrofuran; dichloromethane; 1: Esterification / 2: Catalytic hydrogenation;

DOI:10.1039/a910273f

Reference yield:

4-nitro-benzoic acid (62-23-7) → 4-aminophenyl 4'-aminobenzoate (20610-77-9)

Guidance literature:

Multi-step reaction with 2 steps

1: dicyclohexylcarbodiimide; DMAP / CH₂Cl₂ / 18 h

2: H₂ / palladium on carbon / tetrahydrofuran / 1034.32 Torr

With dmap; hydrogen; dicyclohexyl-carbodiimide; palladium on activated charcoal; In tetrahydrofuran; dichloromethane; 1: Esterification / 2: Catalytic hydrogenation;

DOI:10.1039/a910273f

upstream raw materials:

4-nitrophenyl 4-nitrobenzoate

4-nitro-phenol

4-nitro-benzoic acid

4-nitro-benzoyl chloride

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