Ethanone, 1-(1-methyl-2-phenyl-1H-indol-3-yl)-

Base Information

• Chemical Name: Ethanone, 1-(1-methyl-2-phenyl-1H-indol-3-yl)-
• CAS No.: 62367-64-0
• Molecular Formula: C17H15NO
• Molecular Weight: 249.312
• DSSTox Substance ID: DTXSID70487309
• Nikkaji Number: J2.753.955F
• Wikidata: Q82329294
• Mol file: 62367-64-0.mol

Synonyms:62367-64-0;1-(1-Methyl-2-phenyl-1H-indol-3-yl)ethanone;1-(1-methyl-2-phenyl-1H-indol-3-yl)ethan-1-one;Ethanone, 1-(1-methyl-2-phenyl-1H-indol-3-yl)-;SCHEMBL7278419;DTXSID70487309;IKIQUACDGVADHX-UHFFFAOYSA-N;1-(1-methyl-2-phenyl-1H-indol-3-yl)-1-ethanone;1 -(1-Methyl-2-phenyl-1H-indol-3-yl)-1-ethanone

Chemical Property of Ethanone, 1-(1-methyl-2-phenyl-1H-indol-3-yl)-

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 249.115364102
• Heavy Atom Count: 19
• Complexity: 334

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethanone, 1-(1-methyl-2-phenyl-1H-indol-3-yl)-

There total 6 articles about Ethanone, 1-(1-methyl-2-phenyl-1H-indol-3-yl)- 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: 95.0%

3-acetyl-2-phenylindole (17375-64-3) + dimethyl sulfate (77-78-1) → 1-(1-methyl-2-phenyl-1H-indol-3-yl)ethan-1-one (62367-64-0)

Guidance literature:

With sodium hydroxide; 60 degC 30 min then 80-90 degC 1 h;

DOI:10.1039/P29810000628

Reference yield: 60.0%

3-acetyl-2-phenylindole (17375-64-3) + methyl iodide (74-88-4) → 1-(1-methyl-2-phenyl-1H-indol-3-yl)ethan-1-one (62367-64-0)

Guidance literature:

With potassium hydroxide; In N,N-dimethyl-formamide; at 80 ℃; for 20h; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.joc.8b00795

Reference yield: 57.0%

N-methyl-N-[2-(phenylethynyl)phenyl]acetamide → 1-(1-methyl-2-phenyl-1H-indol-3-yl)ethan-1-one (62367-64-0)

Guidance literature:

With [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂; In 1,2-dichloro-ethane; at 87 ℃; for 40h; Inert atmosphere;

DOI:10.1039/c2cc17887g

upstream raw materials:

3-acetyl-2-phenylindole

dimethyl sulfate

2-phenyl-indole

methyl iodide

Downstream raw materials:

1-methyl-2-phenyl-1H-indole

1-(1-methyl-2-phenyl-indol-3-yl)-4-morpholin-4-yl-butane-1,3-dione

1-methyl-2-phenyl-3,6-dinitroindole

C₁₇H₁₆N₂O