5-Aminoisatin

Base Information

• Chemical Name: 5-Aminoisatin
• CAS No.: 42816-53-5
• Molecular Formula: C8H6N2O2
• Molecular Weight: 162.148
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID20473696
• Metabolomics Workbench ID: 60705
• Nikkaji Number: J1.079.010G
• Wikidata: Q27126797
• Mol file: 42816-53-5.mol

Synonyms:5-aminoisatin

Chemical Property of 5-Aminoisatin

Chemical Property:

• Melting Point: >260oC
• PKA: 9.54±0.20(Predicted)
• PSA: 72.19000
• Density: 1.476
• LogP: 1.12280
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 0
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 162.042927438
• Heavy Atom Count: 12
• Complexity: 239

Purity/Quality:

97% ^*data from raw suppliers

5-Aminoisatin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1N)C(=O)C(=O)N2

Technology Process of 5-Aminoisatin

There total 9 articles about 5-Aminoisatin 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: 91.0%

2-(2,5-diaminophenyl)-N-hexyl-2-oxoacetamide → 5-Aminoisatin (42816-53-5)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; water; at 20 ℃; for 3h;

DOI:10.1002/ejoc.201600143

Reference yield: 79.0%

5-nitroisatin (611-09-6) → 5-Aminoisatin (42816-53-5)

Guidance literature:

With hydrogenchloride; iron; In ethanol; at 70 ℃; for 0.5h;

DOI:10.1016/j.bmc.2006.05.036

Reference yield:

5-acetamidoisatin sulfate → 5-Aminoisatin (42816-53-5)

Guidance literature:

With borax; In water; at 100 ℃;

upstream raw materials:

5-nitroisatin

N-(2,3-dioxoindolin-5-yl)acetamide

N-(3-hydroxy-2-oxo-indolin-5-yl)-acetamide

1-acetylamino-4-(2-hydroxyimino-acetylamino)-benzene

Downstream raw materials:

5-Hydroxyisatin

C₁₆H₁₂N₂O₃

4-[N'-(5-Amino-2-oxo-1,2-dihydro-indol-3-ylidene)-hydrazino]-benzenesulfonamide hydrochloride

C₁₃H₁₀N₂O₂

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