Thiaindanone

Base Information

• Chemical Name: Thiaindanone
• CAS No.: 26524-83-4
• Molecular Formula: C8H8OS
• Molecular Weight: 152.217
• DSSTox Substance ID: DTXSID301275120
• Nikkaji Number: J971.624F
• Mol file: 26524-83-4.mol

Synonyms:thiaindanone;1-Thiaindan S-oxide;SCHEMBL133072;DTXSID301275120;benzo[b]thiophene, 2,3-dihydro-, 1-oxide;26524-83-4

Chemical Property of Thiaindanone

Chemical Property:

• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 152.02958605
• Heavy Atom Count: 10
• Complexity: 155

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CS(=O)C2=CC=CC=C21

Technology Process of Thiaindanone

There total 1 articles about Thiaindanone 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:

2,3-dihydrobenzo(b)thiophene (4565-32-6) → racemic 2,3-dihydrobenzo[b]thiophene-1-oxide (26524-83-4) + Benzo[b]thiophene (95-15-8,11095-43-5)

Guidance literature:

With titanium(IV) oxide; silver sulfate; In acetonitrile; at 20 ℃; for 2h; Title compound not separated from byproducts; UV-irradiation;

DOI:10.1002/poc.1086

Reference yield: 64.0%

racemic 2,3-dihydrobenzo[b]thiophene-1-oxide (26524-83-4) + 4-methoxy-N-(4-(trifluoromethyl)benzylidene)aniline (130632-08-5,144465-76-9) → (+/-)-(1S,2S)-2-[(1R)-1-(4-methoxyphenylamino)-1-(4-trifluoromethylphenyl)methyl]-2,3-dihydro-1-benzothiophene 1-oxide + (+/-)-(1S,2S)-2-[(1S)-1-(4-methoxyphenylamino)-1-(4-trifluoromethylphenyl)methyl]-2,3-dihydro-1-benzothiophene 1-oxide

Guidance literature:

racemic 2,3-dihydrobenzo[b]thiophene-1-oxide; With lithium diisopropyl amide; In tetrahydrofuran; for 0.25h; cooling;

4-methoxy-N-(4-(trifluoromethyl)benzylidene)aniline; In tetrahydrofuran; for 0.25h; Further stages.; cooling;

DOI:10.1016/j.tet.2008.04.088

Reference yield: 44.0%

4-Trifluoromethylbenzaldehyde (455-19-6) + racemic 2,3-dihydrobenzo[b]thiophene-1-oxide (26524-83-4) → (+/-)-(1S,2S)-2-[(1S)-1-hydroxy-1-(4-trifluoromethylphenyl)methyl]-2,3-dihydro-1-benzothiophene 1-oxide + (+/-)-(1S,2S)-2-[(1R)-1-hydroxy-1-(4-trifluoromethylphenyl)methyl]-2,3-dihydro-1-benzothiophene 1-oxide

Guidance literature:

racemic 2,3-dihydrobenzo[b]thiophene-1-oxide; With lithium diisopropyl amide; In tetrahydrofuran; for 0.25h; cooling;

4-Trifluoromethylbenzaldehyde; In tetrahydrofuran; for 0.25h; Further stages.; cooling;

DOI:10.1016/j.tet.2008.04.088

upstream raw materials:

2,3-dihydrobenzo(b)thiophene

Downstream raw materials:

(+)-3-(S)-hydroxy-2,3-dihydrobenzo[b]thiophene

3-(R)-hydroxy-2,3-dihydrobenzo[b]thiophene

1-phenylthiaindan hexafluorophosphate