Benzo[b]thiophene, 2,3-dihydro-3-(4-methylphenyl)-, 1,1-dioxide

Base Information

• Chemical Name: Benzo[b]thiophene, 2,3-dihydro-3-(4-methylphenyl)-, 1,1-dioxide
• CAS No.: 61503-23-9
• Molecular Formula: C15H14O2S
• Molecular Weight: 258.341
• DSSTox Substance ID: DTXSID30485583

Synonyms:61503-23-9;Benzo[b]thiophene, 2,3-dihydro-3-(4-methylphenyl)-, 1,1-dioxide;DTXSID30485583

Chemical Property of Benzo[b]thiophene, 2,3-dihydro-3-(4-methylphenyl)-, 1,1-dioxide

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 258.07145086
• Heavy Atom Count: 18
• Complexity: 387

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2CS(=O)(=O)C3=CC=CC=C23

Technology Process of Benzo[b]thiophene, 2,3-dihydro-3-(4-methylphenyl)-, 1,1-dioxide

There total 4 articles about Benzo[b]thiophene, 2,3-dihydro-3-(4-methylphenyl)-, 1,1-dioxide 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%

3-(p-tolyl)-2,3-dihydrobenzothiophen (74881-91-7) → 3-p-Tolyl-2,3-dihydro-benzo[b]thiophene 1,1-dioxide (61503-23-9)

Guidance literature:

With dihydrogen peroxide; In acetic acid;

Reference yield:

benzothiophene-1,1-dioxide (825-44-5) + 4-methylphenylboronic acid (5720-05-8) → 3-p-Tolyl-2,3-dihydro-benzo[b]thiophene 1,1-dioxide (61503-23-9)

Guidance literature:

With chloro(1,5-cyclooctadiene)rhodium(I) dimer; potassium hydroxide; In 1,4-dioxane; water; at 100 ℃; for 12h; Inert atmosphere; Glovebox; Sealed tube;

DOI:10.1021/acs.orglett.0c04114

Reference yield:

toluene (108-88-3,15644-74-3,16713-13-6) → 3-p-Tolyl-2,3-dihydro-benzo[b]thiophene 1,1-dioxide (61503-23-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 78 percent / aluminium chloride / 0.5 h / 20 °C

2: 100 percent / hyrogen peroxide / acetic acid

With aluminium trichloride; dihydrogen peroxide; In acetic acid;

upstream raw materials:

3-(p-tolyl)-2,3-dihydrobenzothiophen

toluene

Benzo[b]thiophene

benzothiophene-1,1-dioxide

Downstream raw materials:

1-methyl-4-(1-phenylethyl)benzene

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