2-(1,3-Dithiolan-2-yl)cyclopentanone

Base Information

• Chemical Name: 2-(1,3-Dithiolan-2-yl)cyclopentanone
• CAS No.: 51717-62-5
• Molecular Formula: C8H12OS2
• Molecular Weight: 188.3103
• DSSTox Substance ID: DTXSID90966000
• Mol file: 51717-62-5.mol

Synonyms:2-(1,3-Dithiolan-2-yl)cyclopentanone;BRN 4388847;51717-62-5;Cyclopentanone, 2-(1,3-dithiolan-2-yl)-;2-(1,3-dithiolan-2-yl)cyclopentan-1-one;DTXSID90966000;LS-58075

Chemical Property of 2-(1,3-Dithiolan-2-yl)cyclopentanone

Chemical Property:

• Vapor Pressure: 0.000217mmHg at 25°C
• Boiling Point: 326.4°Cat760mmHg
• Flash Point: 146.7°C
• PSA: 67.67000
• Density: 1.285g/cm³
• LogP: 2.16170
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 188.03295735
• Heavy Atom Count: 11
• Complexity: 164

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(C(=O)C1)C2SCCS2

Technology Process of 2-(1,3-Dithiolan-2-yl)cyclopentanone

There total 2 articles about 2-(1,3-Dithiolan-2-yl)cyclopentanone 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: 77.0%

1-(trimethylsilyloxy)cyclopentene (19980-43-9) + 2-ethoxy-[1,3]dithiolane (65225-59-4) → 2-[1,3]Dithiolan-2-yl-cyclopentanone (51717-62-5)

Guidance literature:

With zinc(II) chloride; In acetonitrile; at 20 - 25 ℃; for 12h; other solvents and times;

DOI:10.1016/S0040-4039(01)81873-6

Reference yield: 69.0%

1-(trimethylsilyloxy)cyclopentene (19980-43-9) + 4,5-dihydro-1,3-dithiolium tetrafluoroborate → 2-[1,3]Dithiolan-2-yl-cyclopentanone (51717-62-5)

Guidance literature:

In nitromethane; dichloromethane; at -78 ℃; for 0.0833333h;

DOI:10.1055/s-1992-26336

upstream raw materials:

1-(trimethylsilyloxy)cyclopentene

2-ethoxy-[1,3]dithiolane

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