1H-Indole, 4-methyl-1-(methylsulfonyl)-

Base Information

• Chemical Name: 1H-Indole, 4-methyl-1-(methylsulfonyl)-
• CAS No.: 88131-65-1
• Molecular Formula: C10H11NO2S
• Molecular Weight: 209.269
• DSSTox Substance ID: DTXSID10530207
• Wikidata: Q82401199
• Mol file: 88131-65-1.mol

Synonyms:1H-Indole, 4-methyl-1-(methylsulfonyl)-;88131-65-1;4-methyl-1-methylsulfonylindole;4-Methyl-1-(methylsulfonyl)-1H-indole;DTXSID10530207;1-(Methanesulfonyl)-4-methyl-1H-indole

Chemical Property of 1H-Indole, 4-methyl-1-(methylsulfonyl)-

Chemical Property:

• Boiling Point: 374.8±35.0 °C(Predicted)
• PSA: 47.45000
• Density: 1.26±0.1 g/cm3(Predicted)
• LogP: 2.83820
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 209.05104977
• Heavy Atom Count: 14
• Complexity: 307

Purity/Quality:

99% ^*data from raw suppliers

4-methyl-1-(methylsulfonyl)-1H-Indole 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C=CN(C2=CC=C1)S(=O)(=O)C

Technology Process of 1H-Indole, 4-methyl-1-(methylsulfonyl)-

There total 1 articles about 1H-Indole, 4-methyl-1-(methylsulfonyl)- 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: 43.0%

N-(2,2-Diethoxy-ethyl)-N-m-tolyl-methanesulfonamide (88131-51-5) → 1-(Methylsulfonyl)-4-methylindole (88131-65-1) + 1-(Methylsulfonyl)-6-methylindole (88131-64-0) + N-(2-Oxo-ethyl)-N-m-tolyl-methanesulfonamide

Guidance literature:

With titanium tetrachloride; In dichloromethane; at 0 ℃; Yields of byproduct given;

DOI:10.1021/jo00176a007

Reference yield: 98.0%

1-(Methylsulfonyl)-4-methylindole (88131-65-1) → 4-methyl-1H-indole (16096-32-5,261352-49-2)

Guidance literature:

With potassium hydroxide; In methanol; for 18h; Heating;

DOI:10.1021/jo00176a007

upstream raw materials:

N-(2,2-Diethoxy-ethyl)-N-m-tolyl-methanesulfonamide

Downstream raw materials:

4-methyl-1H-indole