1H-Indole, 5-methoxy-1-[(4-methylphenyl)sulfonyl]-

Base Information

• Chemical Name: 1H-Indole, 5-methoxy-1-[(4-methylphenyl)sulfonyl]-
• CAS No.: 139717-71-8
• Molecular Formula: C16H15NO3S
• Molecular Weight: 301.366
• DSSTox Substance ID: DTXSID60472249
• Nikkaji Number: J1.163.795G
• Wikidata: Q82301065
• Mol file: 139717-71-8.mol

Synonyms:139717-71-8;5-Methoxy-1-tosyl-1H-indole;1H-Indole, 5-methoxy-1-[(4-methylphenyl)sulfonyl]-;5-methoxy-1-(4-methylbenzenesulfonyl)-1H-indole;5-methoxy-1-(4-methylphenyl)sulfonylindole;5-methoxy-1-[(4-methylphenyl)sulfonyl]-1H-Indole;SCHEMBL946548;DTXSID60472249;SWJXHHMYYCPWLX-UHFFFAOYSA-N;MFCD22691094;AKOS016366422;FT-0762805;5-methoxy-1-(toluene-4-sulfonyl)-1H-indole;EN300-749226

Chemical Property of 1H-Indole, 5-methoxy-1-[(4-methylphenyl)sulfonyl]-

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 301.07726451
• Heavy Atom Count: 21
• Complexity: 451

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2C=CC(=C3)OC

Technology Process of 1H-Indole, 5-methoxy-1-[(4-methylphenyl)sulfonyl]-

There total 17 articles about 1H-Indole, 5-methoxy-1-[(4-methylphenyl)sulfonyl]- 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: 100.0%

N-(4-methoxy-2-vinyl-phenyl)-4-methyl-N-propenyl-benzenesulfonamide → 5-methoxy-N-(4-toluenesulfonyl)-1H-indole (139717-71-8)

Guidance literature:

tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride; In benzene; at 80 ℃; for 3h;

DOI:10.1002/anie.200290031

Reference yield: 100.0%

N-allyl-N-p-toluenesulfonyl-2-ethenyl-4-methoxyaniline (402822-76-8) → 5-methoxy-N-(4-toluenesulfonyl)-1H-indole (139717-71-8)

Guidance literature:

N-allyl-N-p-toluenesulfonyl-2-ethenyl-4-methoxyaniline; With trimethylsiloxyethene; tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride; In dichloromethane; for 1.5h; Heating;

tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride; In benzene; for 3h; Heating;

DOI:10.1021/jo060308u

Reference yield: 98.0%

5-methoxylindole (1006-94-6) + p-toluenesulfonyl chloride (98-59-9) → 5-methoxy-N-(4-toluenesulfonyl)-1H-indole (139717-71-8)

Guidance literature:

With tetra(n-butyl)ammonium hydrogensulfate; potassium hydroxide; for 0.5h;

DOI:10.1002/ejoc.202100021

upstream raw materials:

N-tosyl-2-(1-isopropylthio-2-methoxyethyl)-4-methoxyanilide

5-methoxylindole

p-toluenesulfonyl chloride

N-(4-Methoxy-phenyl)-4-methyl-benzenesulfonamide

Downstream raw materials:

5-Methoxy-1-tosyl-3-indole boronic acid

ethyl 2-methyl-4-phenyl-4-(5-methoxy-1-tosyl-1H-indol-2-yl)but-2(Z)-enoate

N-(3-hydroxy-3-(5-methoxy-1-tosyl-1H-indol-2-yl)propyl)-N-(4-methoxybenzyl)-4-methylbenzenesulfonamide

9-methoxy-5-(4-methoxyphenyl)-2,6-ditosyl-1,2,3,4,5,6-hexahydroazepino[4,3-b]indole