4,6-Dichloroisatin

Base Information

• Chemical Name: 4,6-Dichloroisatin
• CAS No.: 18711-15-4
• Molecular Formula: C8H3Cl2NO2
• Molecular Weight: 216.023
• Hs Code.: 2933990090
• NSC Number: 72897
• DSSTox Substance ID: DTXSID60291058
• Nikkaji Number: J14.732J
• Wikidata: Q72466525
• Pharos Ligand ID: XDAZBSPCJUV7
• ChEMBL ID: CHEMBL385800
• Mol file: 18711-15-4.mol

Synonyms:4,6-Dichloroisatin;18711-15-4;4,6-Dichloro-1H-indole-2,3-dione;4,6-DICHLOROINDOLINE-2,3-DIONE;4,6-dichloro-2,3-dihydro-1H-indole-2,3-dione;CFL-120;1H-Indole-2,3-dione,4,6-dichloro-;4,6-dichlorisatin;NSC72897;D04EXR;Isatin-based compound, 50;SCHEMBL124586;CHEMBL385800;4,6-dichloroindolin-2,3-dione;BDBM22830;DTXSID60291058;4,6-Dichloro-2,3-indolinedione;BBL029536;MFCD01971146;NSC 72897;NSC-72897;STK784025;AKOS000144642;AC-1035;CS-W022055;GS-4346;HY-W041315;PB30714;4,6-Dichloro-1H-indole-2,3-dione #;FT-0617233;EN300-217752;A813116;SR-01000435771;SR-01000435771-1;Z247609698;(2,2-DIMETHYL-[1,3]DIOXOLAN-4-YL)-HYDROXY-ACETICACIDETHYLESTER

Chemical Property of 4,6-Dichloroisatin

Chemical Property:

• Appearance/Colour: Yellow Powder
• Melting Point: 260.5-261℃
• Refractive Index: 1.637
• PKA: 8.59±0.20(Predicted)
• PSA: 46.17000
• Density: 1.643 g/cm³
• LogP: 2.26620
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 214.9540837
• Heavy Atom Count: 13
• Complexity: 269

Purity/Quality:

98% ^*data from raw suppliers

4,6-Dichloro-1h-indole-2,3-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C2=C1NC(=O)C2=O)Cl)Cl

Technology Process of 4,6-Dichloroisatin

There total 7 articles about 4,6-Dichloroisatin 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%

N-(3,5-dichlorophenyl)-2-hydroxyimino-acetamide (18711-11-0) → 4,6-dichloro-1H-indole-2,3-dione (18711-15-4)

Guidance literature:

With sulfuric acid; at 0 - 90 ℃;

Reference yield: 96.0%

N-(3,5-Dichlorophenyl)-2-hydroxyimino-acetamide → 4,6-dichloro-1H-indole-2,3-dione (18711-15-4)

Guidance literature:

With sulfuric acid; at 0 - 90 ℃; for 1.16667h;

Reference yield:

chloral (75-87-6) + 3,5-Dichloroaniline (626-43-7) → 4,6-dichloro-1H-indole-2,3-dione (18711-15-4)

Guidance literature:

With hydrogenchloride; sulfuric acid; hydroxylamine hydrochloride; sodium sulfate; In water;

upstream raw materials:

N-(3,5-dichlorophenyl)-2-hydroxyimino-acetamide

3,5-Dichloroaniline

chloral

Downstream raw materials:

2-amino-4,6-dichlorobenzoic acid

3,4,6-trichloro-1,3-dihydro-3-(3,4-dichlorophenyl)-indol-2-one

3-hydroxy-4,6-dichloro-1,3-dihydro-3-(3,4-dichlorophenyl)-indol-2-one

4,6-dichloro-[[(1S)-2-hydroxy-1-phenylethyl]amino]-1,3-dihydro-3-(benzofuran-5-yl)indole-2-one

Refernces

• 1、 -. "NOVEL SUBSTITUTED-1H-QUINAZOLINE-2,4-DIONE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME". Page/Page column 25. . Retrieved 2008/06/13.
• 2、 -. "3-aryl-3-methyl-quinoline-2,4-diones, preparation method thereof and pharmaceutical composition containing same". Page/Page column 10. . Retrieved 2008/06/13.