1-(7-Hydroxyindolin-1-YL)ethanone

Base Information

• Chemical Name: 1-(7-Hydroxyindolin-1-YL)ethanone
• CAS No.: 4770-36-9
• Molecular Formula: C₁₀H₁₁NO₂
• Molecular Weight: 177.203
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00559361
• Wikidata: Q82442057
• Mol file: 4770-36-9.mol

Synonyms:4770-36-9;1-(7-HYDROXYINDOLIN-1-YL)ETHANONE;1-(7-hydroxy-2,3-dihydroindol-1-yl)ethanone;1-Acetyl-7-hydroxyindoline;DTXSID00559361;AKOS006316268;SB64428;1-(7-oxidanyl-2,3-dihydroindol-1-yl)ethanone;A827308;1-(7-Hydroxy-2,3-dihydro-1H-indol-1-yl)ethan-1-one

Chemical Property of 1-(7-Hydroxyindolin-1-YL)ethanone

Chemical Property:

• Melting Point: 114.5-115 °C
• Boiling Point: 411.9±45.0 °C(Predicted)
• PKA: 8.66±0.20(Predicted)
• PSA: 40.54000
• Density: 1.272±0.06 g/cm3(Predicted)
• LogP: 1.36620
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 177.078978594
• Heavy Atom Count: 13
• Complexity: 217

Purity/Quality:

97% ^*data from raw suppliers

1-(7-Hydroxyindolin-1-yl)ethanone 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N1CCC2=C1C(=CC=C2)O

Technology Process of 1-(7-Hydroxyindolin-1-YL)ethanone

There total 5 articles about 1-(7-Hydroxyindolin-1-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: 62.0%

(1-acetyl-2,3-dihydroindol-7-yl)thallium bis(trifluoroacetate) → 1-acetyl-2,3-dihydro-7-hydroxyindole (4770-36-9)

Guidance literature:

With copper(II) sulfate; palladium diacetate; In water; N,N-dimethyl-formamide; at 125 ℃; for 6h;

DOI:10.3987/COM-88-4717

Reference yield: 42.0%

1-Acetyl-2,3-dihydro-1H-indole (16078-30-1) → 1-acetyl-2,3-dihydro-7-hydroxyindole (4770-36-9)

Guidance literature:

DOI:10.3987/com-98-8345

Reference yield:

7-hydroxy-indoline (4770-38-1) + acetic anhydride (108-24-7) → 1-acetyl-2,3-dihydro-7-hydroxyindole (4770-36-9)

Guidance literature:

With sodium acetate; In tetrahydrofuran; at 19 - 20 ℃; for 12h; Yield given;

DOI:10.1016/S0040-4039(00)95902-1

upstream raw materials:

7-hydroxy-indoline

acetic anhydride

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

1-(2,3-Dihydro-1H-indol-7-yl)-ethanol

Downstream raw materials:

1-acetyl-7-ethoxy-2,3-dihydroindole

2,3-dihydro-7-ethoxyindole