1H-Indole, 2-(bromomethyl)-1-(phenylsulfonyl)-3-(phenylthio)-

Base Information

• Chemical Name: 1H-Indole, 2-(bromomethyl)-1-(phenylsulfonyl)-3-(phenylthio)-
• CAS No.: 85678-42-8
• Molecular Formula: C21H16BrNO2S2
• Molecular Weight: 458.4
• DSSTox Substance ID: DTXSID30448633
• Nikkaji Number: J501.979F
• Wikidata: Q82267716
• Mol file: 85678-42-8.mol

Synonyms:85678-42-8;1H-Indole, 2-(bromomethyl)-1-(phenylsulfonyl)-3-(phenylthio)-;DTXSID30448633;1-(Phenylsulfonyl)-2-(bromomethyl)-3-(phenylthio)-1H-indole

Chemical Property of 1H-Indole, 2-(bromomethyl)-1-(phenylsulfonyl)-3-(phenylthio)-

Chemical Property:

• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 456.98058
• Heavy Atom Count: 27
• Complexity: 582

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)SC2=C(N(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4)CBr

Technology Process of 1H-Indole, 2-(bromomethyl)-1-(phenylsulfonyl)-3-(phenylthio)-

There total 3 articles about 1H-Indole, 2-(bromomethyl)-1-(phenylsulfonyl)-3-(phenylthio)- 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: 98.0%

N-benzenesulphonyl-2-methyl-3-thiophenoxyindole (85678-41-7) → 2-(bromomethyl)-3-(phenylthio)-1-(phenylsulfonyl)-1H-indole (85678-42-8)

Guidance literature:

With N-Bromosuccinimide; Perbenzoic acid; In tetrachloromethane; for 5h; Heating;

DOI:10.1055/s-1983-30265

Reference yield:

2-methyl-3-phenylthioindole (56366-45-1) → 2-(bromomethyl)-3-(phenylthio)-1-(phenylsulfonyl)-1H-indole (85678-42-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 83 percent / NaH / dimethylsulfoxide

2: 98 percent / N-bromosuccinimide, benzoyl peroxide / CCl₄ / 5 h / Heating

With N-Bromosuccinimide; Perbenzoic acid; sodium hydride; In tetrachloromethane; dimethyl sulfoxide;

DOI:10.1055/s-1983-30265

Reference yield:

benzenesulfonyl chloride (98-09-9) → 2-(bromomethyl)-3-(phenylthio)-1-(phenylsulfonyl)-1H-indole (85678-42-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 83 percent / NaH / dimethylsulfoxide

2: 98 percent / N-bromosuccinimide, benzoyl peroxide / CCl₄ / 5 h / Heating

With N-Bromosuccinimide; Perbenzoic acid; sodium hydride; In tetrachloromethane; dimethyl sulfoxide;

DOI:10.1055/s-1983-30265

upstream raw materials:

N-benzenesulphonyl-2-methyl-3-thiophenoxyindole

2-methyl-3-phenylthioindole

benzenesulfonyl chloride

Downstream raw materials:

1-Benzenesulfonyl-2-(4-bromo-2,5-dimethoxy-benzyl)-3-phenylsulfanyl-1H-indole

2-(1-Benzenesulfonyl-3-phenylsulfanyl-1H-indol-2-ylmethyl)-3-oxo-butyric acid ethyl ester

2,5-bis<(1-benzenesulfonyl-3-phenylthioindol-2-yl)methyl>-1,4-dimethoxybenzene

1-(phenylsulfonyl)-3-(phenylthio)-1H-indole-2-carbaldehyde