1-Benzyl-1H-indole-2,3-dione

Base Information

• Chemical Name: 1-Benzyl-1H-indole-2,3-dione
• CAS No.: 1217-89-6
• Molecular Formula: C15H11NO2
• Molecular Weight: 237.258
• Hs Code.: 2933990090
• European Community (EC) Number: 833-553-9
• NSC Number: 100000
• DSSTox Substance ID: DTXSID30295164
• Nikkaji Number: J277.129B
• Wikidata: Q27453666
• Pharos Ligand ID: RP8Q9WBZ8MTT
• ChEMBL ID: CHEMBL115581
• Mol file: 1217-89-6.mol

Synonyms:N-benzylisatin

Chemical Property of 1-Benzyl-1H-indole-2,3-dione

Chemical Property:

• Vapor Pressure: 3.72E-07mmHg at 25°C
• Melting Point: 128.0 to 132.0 °C
• Refractive Index: 1.66
• Boiling Point: 416.8 °C at 760 mmHg
• PKA: -2.44±0.20(Predicted)
• Flash Point: 195.9 °C
• PSA: 37.38000
• Density: 1.311 g/cm³
• LogP: 2.48110
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 237.078978594
• Heavy Atom Count: 18
• Complexity: 346

Purity/Quality:

97% ^*data from raw suppliers

1-Benzyl-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=CC=C(C=C1)CN2C3=CC=CC=C3C(=O)C2=O

Technology Process of 1-Benzyl-1H-indole-2,3-dione

There total 71 articles about 1-Benzyl-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: 99.0%

indole-2,3-dione (91-56-5,1186480-61-4,84788-92-1) + benzyl chloride (100-44-7) → 1-benzylisatin (1217-89-6)

Guidance literature:

In N,N-dimethyl-formamide; at 20 ℃; for 12h;

DOI:10.1016/j.dyepig.2014.09.025

Reference yield: 99.0%

indole-2,3-dione (91-56-5,1186480-61-4,84788-92-1) + benzyl bromide (100-39-0) → 1-benzylisatin (1217-89-6)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; for 0.25h;

DOI:10.1016/S0040-4020(03)00855-X

Reference yield: 98.0%

indole-2,3-dione (91-56-5,1186480-61-4,84788-92-1) → 1-benzylisatin (1217-89-6)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; for 0.0666667h; microwave irradiation;

DOI:10.1081/SCC-120016324

upstream raw materials:

indole-2,3-dione

benzyl chloride

1-benzyl-3-hydroxy-3-(2'-oxopropyl)indolin-2-one

benzyl bromide

Downstream raw materials:

1-benzyl-indoline-2,3-dione-3-thiosemicarbazone

(1-benzyl-2-oxo-1,2-dihydro-indol-3-ylidene)cyanoacetic acid ethyl ester

1-benzyl-3,3-bis(4-hydroxyphenyl)indolin-2-one

1-benzyl-indoline-2,3-dione-3-hydrazone