1-(Indolin-7-yl)ethanone

Base Information

• Chemical Name: 1-(Indolin-7-yl)ethanone
• CAS No.: 104019-19-4
• Molecular Formula: C10H11NO
• Molecular Weight: 161.203
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40547045
• Wikidata: Q82425047
• Mol file: 104019-19-4.mol

Synonyms:1-(Indolin-7-yl)ethanone;104019-19-4;1-(2,3-Dihydro-1H-indol-7-yl)ethanone;1-(2,3-Dihydro-1H-indol-7-yl)-ethanone;1-(indolin-7-yl)ethan-1-one;1-(2,3-Dihydro-1H-indol-7-yl)ethan-1-one;Ethanone, 1-(2,3-dihydro-1H-indol-7-yl)- (9CI);7-acetylindoline;Ethanone, 1-(2,3-dihydro-1H-indol-7-yl)-;SCHEMBL9667622;DTXSID40547045;MOOUXQHCDFTMTM-UHFFFAOYSA-N;SB30337;CS-0446396;EN300-3032380

Chemical Property of 1-(Indolin-7-yl)ethanone

Chemical Property:

• PSA: 29.10000
• LogP: 1.99520
• Storage Temp.: 2-8°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 161.084063974
• Heavy Atom Count: 12
• Complexity: 190

Purity/Quality:

97% ^*data from raw suppliers

1-(2,3-Dihydro-1H-indol-7-yl)ethanone 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC=CC2=C1NCC2

Technology Process of 1-(Indolin-7-yl)ethanone

There total 4 articles about 1-(Indolin-7-yl)ethanone 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: 12.0%

1-Acetyl-2,3-dihydro-1H-indole (16078-30-1) + acetone (67-64-1) → 5-Acetyl-2,3-dihydro-1H-indole (16078-34-5) + 1-(1-acetylindolin-5-yl)ethanone (16078-35-6) + 7-acetylindoline (104019-19-4) + 1,7-diacetylindoline

Guidance literature:

for 24h; Mechanism; Irradiation; other acetylindolines, acetone as educt or solvent, var. reaction times;

DOI:10.3987/R-1987-01-0061

Reference yield: 11.0%

1-Acetyl-2,3-dihydro-1H-indole (16078-30-1) → 5-Acetyl-2,3-dihydro-1H-indole (16078-34-5) + 1-(1-acetylindolin-5-yl)ethanone (16078-35-6) + 7-acetylindoline (104019-19-4) + 1,7-diacetylindoline

Guidance literature:

In acetone; for 24h; Further byproducts given; Irradiation;

DOI:10.3987/R-1987-01-0061

Reference yield:

1-indoline (496-15-1) → 7-acetylindoline (104019-19-4)

Guidance literature:

With hydrogenchloride; sodium hydroxide; boron tribromide; aluminium trichloride; In water; toluene; acetonitrile;

upstream raw materials:

1-Acetyl-2,3-dihydro-1H-indole

acetone

1-indoline

acetonitrile

Downstream raw materials:

1-(1H-indol-7-yl)ethan-1-one