1H-Indole, 3-acetyl-1-benzoyl-

Base Information

• Chemical Name: 1H-Indole, 3-acetyl-1-benzoyl-
• CAS No.: 90539-81-4
• Molecular Formula: C17H13NO2
• Molecular Weight: 263.296
• DSSTox Substance ID: DTXSID10460257
• Nikkaji Number: J795.651G
• Wikidata: Q82284250

Synonyms:1H-Indole, 3-acetyl-1-benzoyl-;90539-81-4;DTXSID10460257

Chemical Property of 1H-Indole, 3-acetyl-1-benzoyl-

Chemical Property:

• Melting Point: 119 °C
• Boiling Point: 364.4±25.0 °C(Predicted)
• PSA: 39.07000
• Density: 1.16±0.1 g/cm3(Predicted)
• LogP: 3.53240
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 263.094628657
• Heavy Atom Count: 20
• Complexity: 387

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CN(C2=CC=CC=C21)C(=O)C3=CC=CC=C3

Technology Process of 1H-Indole, 3-acetyl-1-benzoyl-

There total 5 articles about 1H-Indole, 3-acetyl-1-benzoyl- 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: 79.0%

N-benzoylindole (1496-76-0) + acetic anhydride (108-24-7) → 1-(1-benzoyl-1H-indol-3-yl)ethanone (90539-81-4)

Guidance literature:

With Ph₃P*HClO₄; at 20 ℃; for 0.5h;

DOI:10.1081/SCC-120001515

Reference yield: 76.0%

N-benzoylindole (1496-76-0) + acetyl chloride (75-36-5) → 1-(1-benzoyl-1H-indol-3-yl)ethanone (90539-81-4)

Guidance literature:

With aluminium trichloride; In dichloromethane; at 10 - 20 ℃; for 0.833333h;

DOI:10.1007/BF00472383

Reference yield: 65.0%

3-acetylindole (703-80-0) + benzoyl chloride (98-88-4) → 1-(1-benzoyl-1H-indol-3-yl)ethanone (90539-81-4)

Guidance literature:

With potassium carbonate; In 1,2-dimethoxyethane; water; for 6h; Ambient temperature;

DOI:10.1039/P19840000405

upstream raw materials:

3-acetylindole

benzoyl chloride

N-benzoylindole

acetyl chloride

Downstream raw materials:

exo-1-acetoxy-7b-acetyl-3-benzoyl-1,2,2a,7b-tetrahydro-3H-cyclobutindole

endo-1-acetoxy-7b-acetyl-3-benzoyl-1,2,2a,7b-tetrahydro-3H-cyclobutindole

methyl 7b-acetyl-3-benzoyl-1,2,2a,7b-tetrahydro-3H-cyclobutindole-2-carboxylate

methyl exo-7b-acetyl-3-benzoyl-1,2,2a,7b-tetrahydro-3H-cyclobutindole-1-carboxylate

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 90539-81-4 1H-Indole, 3-acetyl-1-benzoyl-

Send

Send

Metric Ton KG G Pound L ML

Send

Send