3-Methylbenzo[b]thiophene 1-oxide

Base Information

• Chemical Name: 3-Methylbenzo[b]thiophene 1-oxide
• CAS No.: 51500-43-7
• Molecular Formula: C8H5ClN2O
• Molecular Weight: 164.228
• DSSTox Substance ID: DTXSID70965834
• Nikkaji Number: J1.585.300J
• Mol file: 51500-43-7.mol

Synonyms:3-Methylbenzo[b]thiophene 1-oxide;3-Methylbenzo(b)thiophene, 1-oxide;51500-43-7;3-methylbenzothiophene S-oxide;SCHEMBL10242183;DTXSID70965834;3-Methyl-1H-1-benzothiophen-1-one;Benzo[b]thiophene, 3-methyl-, 1-oxide

Chemical Property of 3-Methylbenzo[b]thiophene 1-oxide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 164.02958605
• Heavy Atom Count: 11
• Complexity: 220

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CS(=O)C2=CC=CC=C12

Technology Process of 3-Methylbenzo[b]thiophene 1-oxide

There total 4 articles about 3-Methylbenzo[b]thiophene 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: 90.0%

3-methylbenzothiophene (1455-18-1) → 3-Methylbenzothiophene sulfoxide (51500-43-7)

Guidance literature:

With dihydrogen peroxide; trifluoroacetic acid; In dichloromethane; water; at 20 ℃; chemoselective reaction; Inert atmosphere;

DOI:10.1002/anie.201903492

Reference yield: 45.0%

3-methylbenzothiophene (1455-18-1) → 3-Methylbenzothiophene sulfoxide (51500-43-7) + (+)-3-methyl-(4R,5S)-cis-4,5-dihydroxy-4,5-dihydrobenzo[b]thiophene (1397698-18-8)

Guidance literature:

With toluene dioxygenase from Pseudomonas putida UV₄; optical yield given as %ee; Enzymatic reaction;

DOI:10.1039/c2ob26120k

Reference yield: 9.0%

3-methylbenzothiophene (1455-18-1) → 3-methyl-1-benzothiophene-1,1-dioxide (6406-91-3) + 3-Methylbenzothiophene sulfoxide (51500-43-7)

Guidance literature:

With dihydrogen peroxide; C₂₂H₄₄N₆Nb₂O₁₄; In water; acetonitrile; at 45 ℃; for 4h; Catalytic behavior; Inert atmosphere; Sealed tube;

DOI:10.1016/j.mcat.2021.111972

upstream raw materials:

3-methylbenzothiophene

Downstream raw materials:

4-oxo-8b-methyl-2,3-diphenyl-2,3-dihydrobenzothieno<2,3-d>isoxazolidine

4-oxo-8b-methyl-3-(2,4,6-trimethylphenyl)-2,3-dihydrobenzothiopheno<2,3-d>isoxazoline

4-oxo-8b-methyl-3-(2,4,6-trimethylphenyl)-2,3-dihydrobenzothiopheno<2,3-d>isoxazoline

8b-methyl-3-(2,4,6-trimethyl-phenyl)-(3ar,8bc)-3a,8b-dihydro-benzo[4,5]thieno[2,3-d]isoxazole

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 51500-43-7 (E)-1-(2-chlorophenyl)-2-diazonioethenolate

Send

Send

Metric Ton KG G Pound L ML

Send

Send