1-Methyl-2,3-bis(phenylsulfanyl)-1H-indole

Base Information

• Chemical Name: 1-Methyl-2,3-bis(phenylsulfanyl)-1H-indole
• CAS No.: 63955-64-6
• Molecular Formula: C21H17NS2
• Molecular Weight: 347.505
• DSSTox Substance ID: DTXSID90495062
• Wikidata: Q82342982
• Mol file: 63955-64-6.mol

Synonyms:63955-64-6;1-Methyl-2,3-bis(phenylsulfanyl)-1H-indole;SCHEMBL10742255;DTXSID90495062

Chemical Property of 1-Methyl-2,3-bis(phenylsulfanyl)-1H-indole

Chemical Property:

• XLogP3: 6.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 347.08024189
• Heavy Atom Count: 24
• Complexity: 389

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1C2=CC=CC=C2C(=C1SC3=CC=CC=C3)SC4=CC=CC=C4

Technology Process of 1-Methyl-2,3-bis(phenylsulfanyl)-1H-indole

There total 7 articles about 1-Methyl-2,3-bis(phenylsulfanyl)-1H-indole 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: 88.0%

2,3-bis-phenyl-sulphenylindole (70291-88-2) + methyl iodide (74-88-4) → 1-methyl-2,3-bis(phenylthio)-1H-indole (63955-64-6)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide;

DOI:10.1021/jo00100a045

Reference yield: 85.0%

1-methyl-3-(phenylthio)-1H-indole (63955-67-9) → 1-methylindole (603-76-9) + 1-methyl-2,3-bis(phenylthio)-1H-indole (63955-64-6)

Guidance literature:

trifluoroacetic acid; for 4h; Ambient temperature;

DOI:10.1039/c39890000063

Reference yield: 57.0%

1-methylindole (603-76-9) + sodium benzenesulfonate (873-55-2) → 1-methyl-2,3-bis(phenylthio)-1H-indole (63955-64-6)

Guidance literature:

With iodine; triphenylphosphine; In water; Reflux; Schlenk technique; Inert atmosphere; Green chemistry;

DOI:10.1002/cjoc.201800164

upstream raw materials:

1-methyl-3-(phenylthio)-1H-indole

2,3-bis-phenyl-sulphenylindole

methyl iodide

indole

Downstream raw materials:

1-methyl-2-(phenylsulfanyl)-1H-indole