5-chloro-1-(2-phenylethyl)-1H-indole-2,3-dione

Base Information

• Chemical Name: 5-chloro-1-(2-phenylethyl)-1H-indole-2,3-dione
• CAS No.: 356075-69-9
• Molecular Formula: C₁₆H₁₂ClNO₂
• Molecular Weight: 285.73
• DSSTox Substance ID: DTXSID201249140
• Pharos Ligand ID: 29M69P3MZYJ5
• ChEMBL ID: CHEMBL3128206

Synonyms:5-chloro-1-(2-phenylethyl)-1H-indole-2,3-dione;CHEMBL3128206;356075-69-9;Cambridge id 7196590;SCHEMBL16044593;LCVZSSKWPJEOMX-UHFFFAOYSA-N;DTXSID201249140;BDBM50448803;STK394571;AKOS000246020;CCG-114217;5-chloro-1-phenethylindoline-2,3-dione;UPCMLD0ENAT0509-6218:001;5-chloro-1-phenethyl-1H-indole-2,3-dione;EN300-25288274;Z56844541;5-chloro-1-(2-phenylethyl)-2,3-dihydro-1H-indole-2,3-dione

Chemical Property of 5-chloro-1-(2-phenylethyl)-1H-indole-2,3-dione

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 285.0556563
• Heavy Atom Count: 20
• Complexity: 392

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCN2C3=C(C=C(C=C3)Cl)C(=O)C2=O

Technology Process of 5-chloro-1-(2-phenylethyl)-1H-indole-2,3-dione

There total 2 articles about 5-chloro-1-(2-phenylethyl)-1H-indole-2,3-dione 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:

5-chloroindole 2,3-dione (17630-76-1) + 1-phenyl-2-bromoethane (103-63-9) → 5-chloro-1-(2-phenylethyl)-1H-indole-2,3-dione (356075-69-9)

Guidance literature:

5-chloroindole 2,3-dione; With potassium carbonate; In N,N-dimethyl-formamide; for 0.5h;

1-phenyl-2-bromoethane; In N,N-dimethyl-formamide;

DOI:10.1016/j.ejmech.2018.11.008

Reference yield:

→ 5-chloro-1-(2-phenylethyl)-1H-indole-2,3-dione (356075-69-9)

Guidance literature:

With potassium carbonate; sodium iodide; In acetonitrile; at 20 ℃; for 120h; Inert atmosphere; Molecular sieve;

Reference yield: 76.0%

5-chloro-1-(2-phenylethyl)-1H-indole-2,3-dione (356075-69-9) + 1-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)propane-2-one (469873-50-5) → 5-chloro-3-hydroxy-3-{2′-oxo-3′-(2′′,3′′,4′′,6′′-tetra-O-acetyl-β-D-glucopyranosyl)propyl}-1-phenethylindolin-2-one

Guidance literature:

With diethylamine; In ethanol; at 20 ℃; for 6h;

DOI:10.1016/j.ejmech.2018.11.008

upstream raw materials:

5-chloroindole 2,3-dione

1-phenyl-2-bromoethane

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