1-(2,6-Dichlorophenyl)-3,6-diformylindolin-2-one dioxime

Base Information

• Chemical Name: 1-(2,6-Dichlorophenyl)-3,6-diformylindolin-2-one dioxime
• CAS No.: 110370-43-9
• Molecular Formula: C16H11 Cl2 N3 O3
• Molecular Weight: 173.16808
• Mol file: 110370-43-9.mol

Synonyms:BRN 5621868;1-(2,6-Dichlorophenyl)-3,6-diformylindolin-2-one dioxime;1H-Indole-3,6-dicarboxaldehyde, 2,3-dihydro-1-(2,6-dichlorophenyl)-2-oxo-, 3,6-dioxime;2,3-Dihydro-1-(2,6-dichlorophenyl)-2-oxo-1H-indole-3,6-dicarboxaldehyde 3,6-dioxime;LS-82860;1-(2,6-dichlorophenyl)-3,6-bis[(E)-hydroxyiminomethyl]-3H-indol-2-one

Chemical Property of 1-(2,6-Dichlorophenyl)-3,6-diformylindolin-2-one dioxime

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 210-211 °C(Solv: isopropanol (67-63-0))
• Boiling Point: 638.3°Cat760mmHg
• PKA: 10.59±0.28(Predicted)
• Flash Point: 339.8°C
• PSA: 49.93000
• Density: 1.54g/cm³
• LogP: 1.79290
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 363.0177466
• Heavy Atom Count: 24
• Complexity: 521

Purity/Quality:

99% ^*data from raw suppliers

INDOLE-3,6-DICARBOXALDEHYDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)Cl)N2C3=C(C=CC(=C3)C=NO)C(C2=O)C=NO)Cl
• Isomeric SMILES: C1=CC(=C(C(=C1)Cl)N2C3=C(C=CC(=C3)/C=N/O)C(C2=O)/C=N/O)Cl

Technology Process of 1-(2,6-Dichlorophenyl)-3,6-diformylindolin-2-one dioxime

There total 2 articles about 1-(2,6-Dichlorophenyl)-3,6-diformylindolin-2-one dioxime 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: 84.0%

1-(2,6-Dichlorophenyl)-3-(dimethylaminomethylene)-6-formylindolin-2-one (110326-34-6) → 1-(2,6-Dichlorophenyl)-3,6-diformylindolin-2-one dioxime (110370-43-9)

Guidance literature:

With pyridine; hydroxylamine hydrochloride; In ethanol; for 2h; Heating;

DOI:10.1007/BF00767397

Reference yield:

1-(2,6-dichlorophenyl)indolin-2-one (15362-40-0) → 1-(2,6-Dichlorophenyl)-3,6-diformylindolin-2-one dioxime (110370-43-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 77.3 percent / POCl₃/DMF / CHCl₃ / 6 h

2: 84 percent / NH₂OH*HCl, pyridine / ethanol / 2 h / Heating

With pyridine; hydroxylamine hydrochloride; N,N-dimethyl-formamide; trichlorophosphate; In ethanol; chloroform;

DOI:10.1007/BF00767397

upstream raw materials:

1-(2,6-Dichlorophenyl)-3-(dimethylaminomethylene)-6-formylindolin-2-one

1-(2,6-dichlorophenyl)indolin-2-one

Refernces