5-Bromo-1-[(4-methylphenyl)sulfonyl]-1H-indole

Base Information

• Chemical Name: 5-Bromo-1-[(4-methylphenyl)sulfonyl]-1H-indole
• CAS No.: 96546-77-9
• Molecular Formula: C15H12BrNO2S
• Molecular Weight: 350.236
• DSSTox Substance ID: DTXSID70474653
• Nikkaji Number: J1.884.457E
• Wikidata: Q82304734
• Mol file: 96546-77-9.mol

Synonyms:96546-77-9;5-Bromo-1-[(4-methylphenyl)sulfonyl]-1H-indole;5-Bromo-1-tosyl-1H-indole;5-bromo-1-(4-methylphenyl)sulfonylindole;N-tosyl-5-bromoindole;1H-Indole, 5-bromo-1-[(4-methylphenyl)sulfonyl]-;1-Tosyl-5-bromo-1H-indole;SCHEMBL1513414;DTXSID70474653;CMQRWXUQAKCCAK-UHFFFAOYSA-N;MFCD20486680;5-Bromo-1-(p-toluenesulfonyl)-1H-indole;5-bromo-1-(toluene-4-sulfonyl)-1H-indole;CS-0194453;E88006;5-Bromo-1-(4-methylbenzene-1-sulfonyl)-1H-indole;InChI=1/C15H12BrNO2S/c1-11-2-5-14(6-3-11)20(18,19)17-9-8-12-10-13(16)4-7-15(12)17/h2-10H,1H

Chemical Property of 5-Bromo-1-[(4-methylphenyl)sulfonyl]-1H-indole

Chemical Property:

• Melting Point: 136-137 °C (ethyl ether ; dichloromethane)
• Boiling Point: 502.8±52.0 °C (760 mmHg)
• PSA: 47.45000
• Density: 1.51±0.1 g/cm3 (20 °C, 760 mmHg)
• LogP: 5.03000
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 348.97721
• Heavy Atom Count: 20
• Complexity: 439

Purity/Quality:

99% ^*data from raw suppliers

5-Bromo-1-[(4-methylphenyl)sulfonyl]-1H-indole 97% ^*data from reagent 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)Br

Technology Process of 5-Bromo-1-[(4-methylphenyl)sulfonyl]-1H-indole

There total 8 articles about 5-Bromo-1-[(4-methylphenyl)sulfonyl]-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: 100.0%

5-bromo-1H-indole (10075-50-0) + p-toluenesulfonyl chloride (98-59-9) → N-tosyl-5-bromoindole (96546-77-9)

Guidance literature:

5-bromo-1H-indole; With sodium hydride; In N,N-dimethyl-formamide; at 0 ℃; for 1h;

p-toluenesulfonyl chloride; In N,N-dimethyl-formamide; at 20 ℃; for 4.5h;

Reference yield: 90.0%

C15H14BrNO2S → N-tosyl-5-bromoindole (96546-77-9)

Guidance literature:

With potassium thioacyanate; tertamethylammonium iodide; In water; acetonitrile; at 80 ℃; Electrochemical reaction;

DOI:10.1021/acs.orglett.0c01821

Reference yield: 90.0%

5-bromo-1H-indole (10075-50-0) → N-tosyl-5-bromoindole (96546-77-9)

Guidance literature:

DOI:10.1016/S0040-4039(00)00728-0

upstream raw materials:

5-bromo-1H-indole

p-toluenesulfonyl chloride

indolin-2-sulfonic acid sodium

indole

Downstream raw materials:

(Z)-2-Acetylamino-3-[5-bromo-1-(toluene-4-sulfonyl)-1H-indol-3-yl]-acrylic acid methyl ester

5-Pyridin-3-yl-1-(toluene-4-sulfonyl)-1H-indole

3-<(E)-<2-(1-tosyl-5-indolyl)ethenyl>>-4,5-diphenyl-2(3H)oxazolone

1-(5-bromo-1-tosyl-1H-indol-3-yl)ethan-1-one