4,7-Dichloroisatin

Base Information

• Chemical Name: 4,7-Dichloroisatin
• CAS No.: 18711-13-2
• Molecular Formula: C8H3 Cl2 N O2
• Molecular Weight: 216.023
• Hs Code.: 29337900
• European Community (EC) Number: 622-637-9
• DSSTox Substance ID: DTXSID90370507
• Nikkaji Number: J14.733H
• Wikidata: Q72466523
• Pharos Ligand ID: VAAN755DCVQP
• ChEMBL ID: CHEMBL223039
• Mol file: 18711-13-2.mol

Synonyms:4,7-Dichloroisatin;18711-13-2;4,7-dichloroindoline-2,3-dione;4,7-dichloro-1H-indole-2,3-dione;4,7-dichloro isatin;1H-Indole-2,3-dione, 4,7-dichloro-;4,7-dichloro-2,3-dihydro-1H-indole-2,3-dione;MFCD00047214;4,7-dichloro-isatin;D0EK7H;Isatin-based compound, 51;4,7-Dichloroisatin, 97%;SCHEMBL281619;CHEMBL223039;4,7-Dichloroindole-2,3-dione;BDBM22831;DTXSID90370507;4,7-Dichloro-2,3-indolinedione;NUXYYWOWNFEMNH-UHFFFAOYSA-N;CCG-54147;STK895357;AKOS000136440;PS-4561;SB64063;AC-24981;PD181958;SY015247;4,7-bis(chloranyl)-1H-indole-2,3-dione;CS-0073827;D4039;FT-0617284;EN300-133775;A813115;AN-584/40963389;SR-01000597234;J-200165;SR-01000597234-1;SR-01000597234-2;F0850-6861;Z247609664

Chemical Property of 4,7-Dichloroisatin

Chemical Property:

• Appearance/Colour: orange flakes
• Melting Point: 250-252 °C(lit.)
• Boiling Point: °Cat760mmHg
• PKA: 8.38±0.20(Predicted)
• Flash Point: °C
• PSA: 46.17000
• Density: 1.643g/cm³
• LogP: 2.26620
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: soluble in Methanol
• 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

4,7-Dichloroisatin ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C2C(=C1Cl)C(=O)C(=O)N2)Cl

Technology Process of 4,7-Dichloroisatin

There total 6 articles about 4,7-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: 99.0%

N-(2,5-dichlorophenyl)-2-(hydroxyimino)acetamide (17122-58-6) → 4,7-dichloroisatin (18711-13-2)

Guidance literature:

With sulfuric acid; In water; at 100 ℃; for 0.25h; Inert atmosphere; Schlenk technique;

DOI:10.1021/ol401375n

Reference yield:

2,5 dichloroaniline (95-82-9) → 4,7-dichloroisatin (18711-13-2)

Guidance literature:

Multi-step reaction with 2 steps

1: hydroxylamine hydrochloride; sodium sulfate / water; ethanol / 12 h / 80 °C / Inert atmosphere; Schlenk technique

2: sulfuric acid / water / 0.25 h / 100 °C / Inert atmosphere; Schlenk technique

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

DOI:10.1021/ol401375n

Reference yield:

→ 4,7-dichloroisatin (18711-13-2)

Guidance literature:

With permanganate(VII) ion; sodium carbonate;

upstream raw materials:

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

2,5 dichloroaniline

Downstream raw materials:

3,6-dichloroanthranilic acid

2-Amino-3,6-dichlorobenzamide

Refernces

• 1、 Chang, Ning-Hui,Chen, Xi-Chao,Nonobe, Hikaru,Okuda, Yasuhiro,Mori, Hiroki,Nakajima, Kiyohiko,Nishihara, Yasushi. "Synthesis of substituted picenes through Pd-catalyzed cross-coupling reaction/annulation sequences and their physicochemical properties". supporting information. p. 3558 - 3561. Retrieved 2013/08/23.
• 2、 -. "PTEN INHIBITORS". Page/Page column 77-78. . Retrieved 2008/06/13.