Benzo[b]thiophen-3(2H)-one, 2,2-dimethyl-, 1-oxide

Base Information

• Chemical Name: Benzo[b]thiophen-3(2H)-one, 2,2-dimethyl-, 1-oxide
• CAS No.: 26524-90-3
• Molecular Formula: C₁₀H₁₀O₂S
• Molecular Weight: 194.254
• DSSTox Substance ID: DTXSID701227359

Synonyms:DTXSID701227359;Benzo[b]thiophen-3(2H)-one, 2,2-dimethyl-, 1-oxide;26524-90-3

Chemical Property of Benzo[b]thiophen-3(2H)-one, 2,2-dimethyl-, 1-oxide

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 194.04015073
• Heavy Atom Count: 13
• Complexity: 270

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(C(=O)C2=CC=CC=C2S1=O)C

Technology Process of Benzo[b]thiophen-3(2H)-one, 2,2-dimethyl-, 1-oxide

There total 2 articles about Benzo[b]thiophen-3(2H)-one, 2,2-dimethyl-, 1-oxide 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: 68.0%

2,2-dimethylbenzothiophen-3(2H)-one (74328-45-3) → 2,2-dimethyl-3-oxo-2,3-dihydrobenzothiophen S-oxide (26524-90-3) + 2,2-dimethyl-1-p-tolylsulphonyliminobenzothiophen-3(2H)-one (74328-46-4)

Guidance literature:

With chloroamine-T; acetic acid; In methanol; at 0 ℃;

DOI:10.1016/S0040-4039(01)85548-9

Reference yield: 68.0%

2,2-dimethylbenzothiophen-3(2H)-one (74328-45-3) + chloroamine-T (127-65-1) → 2,2-dimethyl-3-oxo-2,3-dihydrobenzothiophen S-oxide (26524-90-3) + 2,2-dimethyl-1-p-tolylsulphonyliminobenzothiophen-3(2H)-one (74328-46-4)

Guidance literature:

With acetic acid; In methanol; for 0.833333h;

upstream raw materials:

2,2-dimethylbenzothiophen-3(2H)-one

chloroamine-T

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