2,3-Dimethyl-3H-indole-3-peroxol

Base Information

• Chemical Name: 2,3-Dimethyl-3H-indole-3-peroxol
• CAS No.: 13177-23-6
• Molecular Formula: C10H11NO2
• Molecular Weight: 177.203
• DSSTox Substance ID: DTXSID40492521
• Nikkaji Number: J570.682C
• Mol file: 13177-23-6.mol

Synonyms:13177-23-6;2,3-Dimethyl-3H-indole-3-peroxol;DTXSID40492521

Chemical Property of 2,3-Dimethyl-3H-indole-3-peroxol

Chemical Property:

• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 177.078978594
• Heavy Atom Count: 13
• Complexity: 239

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=NC2=CC=CC=C2C1(C)OO

Technology Process of 2,3-Dimethyl-3H-indole-3-peroxol

There total 2 articles about 2,3-Dimethyl-3H-indole-3-peroxol 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: 46.0%

2,3-dimethylindole (91-55-4) + 4a-hydroperoxy-N5-ethyl-N3-methyllumiflavin (59587-26-7) → 1,5-dihydro-N5-ethyl-3-methyllumiflavin (50387-36-5) + 3-hydroxy-2,3-dimethylindolenine (24628-61-3) + 2,3-dimethyl-3-(hydroperoxy)indolenine (13177-23-6) + N-(2-acetylphenyl)acetamide (5234-26-4)

Guidance literature:

With potassium tert-butylate; In tert-butyl alcohol; at 30 ℃; for 0.166667h; Rate constant; Mechanism;

DOI:10.1021/ja00545a028

Reference yield: 20.0%

2,3-dimethylindole (91-55-4) → 3-hydroxy-2,3-dimethylindolenine (24628-61-3) + 2,3-dimethyl-3-(hydroperoxy)indolenine (13177-23-6) + N-(2-acetylphenyl)acetamide (5234-26-4)

Guidance literature:

With potassium tert-butylate; 4a-hydroperoxy-N⁵-ethyl-N³-methyllumiflavin; In tert-butyl alcohol; at 30 ℃; for 0.166667h;

DOI:10.1021/ja00545a028

Reference yield: 82.0%

2,3-dimethyl-3-(hydroperoxy)indolenine (13177-23-6) → N-(2-acetylphenyl)acetamide (5234-26-4)

Guidance literature:

With potassium tert-butylate; In tert-butyl alcohol; at 30 ℃; Rate constant; Quantum yield;

DOI:10.1021/ja00545a028

upstream raw materials:

2,3-dimethylindole

4a-hydroperoxy-N⁵-ethyl-N³-methyllumiflavin

Downstream raw materials:

N-(2-acetylphenyl)acetamide

dimethylglyoxal

2-amino-phenol