6-(Methylsulfonyl)-1H-indole

Base Information

• Chemical Name: 6-(Methylsulfonyl)-1H-indole
• CAS No.: 467461-40-1
• Molecular Formula: C9H9NO2S
• Molecular Weight: 195.23800
• Hs Code.: 2933990090
• European Community (EC) Number: 674-380-7
• DSSTox Substance ID: DTXSID80375521
• Wikidata: Q82164079
• Mol file: 467461-40-1.mol

Synonyms:6-(Methylsulfonyl)-1H-indole;467461-40-1;6-methanesulfonyl-1H-indole;6-methylsulfonyl-1H-indole;6-methylsulfonylindole;1H-INDOLE, 6-(METHYLSULFONYL)-;6-(methylsulphonyl)-1h-indole;SCHEMBL1144770;DTXSID80375521;CGPAQJHSHAIUQG-UHFFFAOYSA-N;MFCD04037939;AKOS006227577;AB17034;AT29868;FS-1752;6-(methylsulfonyl)-1H-indole, AldrichCPR;CS-0245183;EN300-300812;Z1201622640

Chemical Property of 6-(Methylsulfonyl)-1H-indole

Chemical Property:

• Melting Point: 151℃
• PSA: 58.31000
• LogP: 2.65220
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 195.03539970
• Heavy Atom Count: 13
• Complexity: 281

Purity/Quality:

98%min ^*data from raw suppliers

6-(Methylsulfonyl)-1H-indole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)C1=CC2=C(C=C1)C=CN2

Technology Process of 6-(Methylsulfonyl)-1H-indole

There total 2 articles about 6-(Methylsulfonyl)-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: 62.0%

→ 6-(methylsulfonyl)-1H-indole (467461-40-1)

Guidance literature:

With potassium fluoride; bis(pinacol)diborane; In ethanol; at 100 ℃; for 12h; Inert atmosphere;

Reference yield:

6-bromo-1H-indole (52415-29-9) + sodium methansulfinate (20277-69-4) → 6-(methylsulfonyl)-1H-indole (467461-40-1)

Guidance literature:

With copper(l) iodide; L-proline; In dimethyl sulfoxide; at 80 ℃; for 12h; Inert atmosphere;

Reference yield:

iodobenzene (591-50-4) + 6-(methylsulfonyl)-1H-indole (467461-40-1) → C15H13NO2S

Guidance literature:

With copper(l) iodide; potassium carbonate; L-proline; In dimethyl sulfoxide; at 125 ℃; Microwave irradiation;

DOI:10.1016/j.bmcl.2010.08.092

upstream raw materials:

6-bromo-1H-indole

sodium methansulfinate

Downstream raw materials:

6-methylsulfonyl-2,3-dihydro-1H-indole

2-(3-fluoro-phenyl)-pyrimidine-5-carboxylic acid (6-methanesulfonyl-indol-1-yl)-amide

Refernces

• 1、 -. "Catalytic synthesis method of indole compounds". Paragraph 0024; 0025; 0026; 0027; 0028; 0029; 0030; 0031. . Retrieved 2016/10/10.