Indol-3-one

Base Information

• Chemical Name: Indol-3-one
• CAS No.: 67285-12-5
• Molecular Formula: C8H5NO
• Molecular Weight: 131.134
• DSSTox Substance ID: DTXSID901317241
• Metabolomics Workbench ID: 57815
• Nikkaji Number: J608.495H
• Wikidata: Q27122691

Synonyms:indol-3-one;3H-indol-3-one;67285-12-5;SCHEMBL1497963;SCHEMBL7207737;CHEBI:51629;DTXSID901317241;Q27122691

Chemical Property of Indol-3-one

Chemical Property:

• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 131.037113783
• Heavy Atom Count: 10
• Complexity: 186

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Indol-3-one

There total 2 articles about Indol-3-one 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: 66.0%

C14H11NO2 → 3H-indol-3-one (67285-12-5) + phenol (108-95-2,27073-41-2)

Guidance literature:

With 1-ethyl-3-methyl-1H-imidazol-3-ium hexafluorophosphate; In various solvent(s); at 160 ℃; for 0.25h; microwave irradiation;

DOI:10.1039/b712582h

Reference yield:

indole (120-72-9) → 2-oxoindole (59-48-3) + indole-2,3-dione (91-56-5,1186480-61-4,84788-92-1) + N-formyl-2-aminobenzaldehyde (25559-38-0) + 3H-indol-3-one (67285-12-5) + dioxindol (61-71-2) + 1H,1H'-2,2'-Biindolylidene-3,3'-dione (482-89-3,12626-73-2)

Guidance literature:

With ferric WT dehaloperoxidase hemoglobin B; dihydrogen peroxide; In methanol; aq. phosphate buffer; at 25 ℃; for 0.0833333h; pH=7; Kinetics; Inert atmosphere; Glovebox; Enzymatic reaction;

DOI:10.1021/ja500293c

upstream raw materials:

indole

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