3,3'-(2-oxopropane-1,3-diyl)bis(3-hydroxy-1,3-dihydro-2H-indol-2-one)

Base Information

• Chemical Name: 3,3'-(2-oxopropane-1,3-diyl)bis(3-hydroxy-1,3-dihydro-2H-indol-2-one)
• CAS No.: 76325-81-0
• Molecular Formula: C19H16N2O5
• Molecular Weight: 352.3407
• NSC Number: 172777
• DSSTox Substance ID: DTXSID50305936
• ChEMBL ID: CHEMBL4753538
• Mol file: 76325-81-0.mol

Synonyms:76325-81-0;3,3'-(2-oxopropane-1,3-diyl)bis(3-hydroxy-1,3-dihydro-2H-indol-2-one);CHEMBL4753538;3-hydroxy-3-[3-(3-hydroxy-2-oxo-1H-indol-3-yl)-2-oxopropyl]-1H-indol-2-one;NSC172777;ChemDiv3_001964;Oprea1_082598;Oprea1_666520;DTXSID50305936;HMS1478J06;BDBM50559037;STK215770;AKOS000512613;CCG-108369;NSC-172777;IDI1_020930;AG-690/40136367;SR-01000455513;SR-01000455513-1;BRD-A41858244-001-01-3;3-hydroxy-3-[3-(3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)-2-oxopropyl]-1,3-dihydro-2H-indol-2-one;3-HYDROXY-3-[3-(3-HYDROXY-2-OXO-2,3-DIHYDRO-1H-INDOL-3-YL)-2-OXOPROPYL]-2,3-DIHYDRO-1H-INDOL-2-ONE

Chemical Property of 3,3'-(2-oxopropane-1,3-diyl)bis(3-hydroxy-1,3-dihydro-2H-indol-2-one)

Chemical Property:

• Melting Point: 225-227 °C(Solv: ethanol (64-17-5))
• Boiling Point: 730.8°Cat760mmHg
• PKA: 11.17±0.20(Predicted)
• Flash Point: 395.8°C
• PSA: 115.73000
• Density: 1.467g/cm³
• LogP: 1.29150
• XLogP3: 0
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 352.10592162
• Heavy Atom Count: 26
• Complexity: 585

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(C(=O)N2)(CC(=O)CC3(C4=CC=CC=C4NC3=O)O)O

Technology Process of 3,3'-(2-oxopropane-1,3-diyl)bis(3-hydroxy-1,3-dihydro-2H-indol-2-one)

There total 5 articles about 3,3'-(2-oxopropane-1,3-diyl)bis(3-hydroxy-1,3-dihydro-2H-indol-2-one) 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: 39.0%

indole-2,3-dione (91-56-5,1186480-61-4,84788-92-1) + acetone (67-64-1) → 1,3-bis(3-hydroxy-3-oxindyl)-2-propanone (76325-81-0)

Guidance literature:

With diethylamine; In ethanol; Heating;

DOI:10.1002/jps.2600691035

Reference yield:

indole-2,3-dione (91-56-5,1186480-61-4,84788-92-1) → 1,3-bis(3-hydroxy-3-oxindyl)-2-propanone (76325-81-0)

Guidance literature:

Multi-step reaction with 2 steps

1: diethylamine

2: diethylamine

With diethylamine;

DOI:10.1021/ja01328a041

Reference yield:

3-hydroxy-3-(2-oxopropyl)indolin-2-one (33417-17-3) + indole-2,3-dione (91-56-5,1186480-61-4,84788-92-1) → 1,3-bis(3-hydroxy-3-oxindyl)-2-propanone (76325-81-0)

Guidance literature:

With diethylamine;

DOI:10.1021/ja01328a041

upstream raw materials:

3-hydroxy-3-(2-oxopropyl)indolin-2-one

indole-2,3-dione

diethylamine

ethanol

Downstream raw materials:

1,3-di(2-oxoindolin-3-ylidene)acetone

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