N-Acetyl-3-methylindole

Base Information

• Chemical Name: N-Acetyl-3-methylindole
• CAS No.: 23543-66-0
• Molecular Formula: C11H11 N O
• Molecular Weight: 173.214
• Hs Code.: 2933990090
• NSC Number: 79240
• UNII: D27BUG43N1
• DSSTox Substance ID: DTXSID00178132
• Nikkaji Number: J41.024A
• Wikidata: Q83048473
• Mol file: 23543-66-0.mol

Synonyms:N-Acetyl-3-methylindole;1-Acetylskatole;23543-66-0;N-Acetylskatole;1-Acetyl-3-methylindole;1H-Indole, 1-acetyl-3-methyl-;1-(3-methylindol-1-yl)ethanone;INDOLE, 1-ACETYL-3-METHYL-;3-Methyl-1-acetyl-1H-indole;NSC 79240;BRN 0127655;1-acetyl-3-methyl-1H-indole;D27BUG43N1;NSC-79240;1H-Indole, 1-acetyl-3-methyl- (9CI);5-20-07-00073 (Beilstein Handbook Reference);1-(3-methyl-1H-indol-1-yl)ethanone;NSC79240;Ethanone, 1-(3-methyl-1H-indol-1-yl)-;UNII-D27BUG43N1;SKATOLE, 1-ACETYL-;SCHEMBL887130;DTXSID00178132;WLN: T56 BNJ BV1 D1;AKOS004907510;1-(3-methyl-1H-indol-1-yl)-ethanone;LS-82235

Chemical Property of N-Acetyl-3-methylindole

Chemical Property:

• Vapor Pressure: 0.00332mmHg at 25°C
• Melting Point: 64-65oC
• Boiling Point: 282.6°C at 760 mmHg
• Flash Point: 124.7°C
• PSA: 22.00000
• Density: 1.09g/cm³
• LogP: 2.60980
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 173.084063974
• Heavy Atom Count: 13
• Complexity: 214

Purity/Quality:

99% ^*data from raw suppliers

1-(3-METHYL-1H-INDOL-1-YL)-ETHANONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CN(C2=CC=CC=C12)C(=O)C

Technology Process of N-Acetyl-3-methylindole

There total 4 articles about N-Acetyl-3-methylindole 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: 96.0%

3-Methylindole (83-34-1) + acetyl chloride (75-36-5) → N-acetyl-3-methylindole (23543-66-0)

Guidance literature:

With tetra(n-butyl)ammonium hydrogensulfate; sodium hydroxide; In dichloromethane; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1021/ja308742x DOI:10.1021/ja308742x

Reference yield: 60.0%

3-Methylindole (83-34-1) + acetic anhydride (108-24-7) → N-acetyl-3-methylindole (23543-66-0)

Guidance literature:

With dmap; triethylamine; In acetonitrile; at 20 - 60 ℃; for 23h;

DOI:10.1021/ja001271c

Reference yield: 60.0%

3-Methylindole (83-34-1) + acetic anhydride (108-24-7) → 2-acetyl-3-methylindole (16244-23-8) + N-acetyl-3-methylindole (23543-66-0)

Guidance literature:

With sulfated zirconia; In 1,1,2,2-tetrachloroethane; at 140 ℃; for 0.25h; Reagent/catalyst; Temperature;

DOI:10.1007/s10562-017-2057-x

upstream raw materials:

3-Methylindole

acetic anhydride

acetyl chloride

carbon monoxide

Downstream raw materials:

1-(3-methyl-2-phenyl-1H-indol-1-yl)ethan-1-one

3-Methylindole

3-methylindolin-2-one

(S)-(+)-3-methyl-N-(p-toluenesulfonyl)indoline