Cyclopentanone ethylene dithioketal

Base Information

• Chemical Name: Cyclopentanone ethylene dithioketal
• CAS No.: 176-39-6
• Molecular Formula: C7H12 S2
• Molecular Weight: 160.304
• UNII: 702C814QVJ
• DSSTox Substance ID: DTXSID80170058
• Nikkaji Number: J87.577E
• Wikidata: Q27265814
• Mol file: 176-39-6.mol

Synonyms:1,4-dithiaspiro[4.4]nonane;176-39-6;Cyclopentanone ethylene dithioketal;1,4-DITHIASPIRO(4.4)NONANE;BRN 0104401;UNII-702C814QVJ;702C814QVJ;1,4-Dithiaspiro[4.4]nonane(7CI,8CI,9CI);Cyclopentanone ethylene dithioacetal;1,4-dithiaspiro[4.4]nonan;SCHEMBL6057393;C7H12S2;DTXSID80170058;C7-H12-S2;AKOS006277673;LS-63173;Q27265814

Chemical Property of Cyclopentanone ethylene dithioketal

Chemical Property:

• Vapor Pressure: 0.0187mmHg at 25°C
• Boiling Point: 261.5°Cat760mmHg
• Flash Point: 117.5°C
• PSA: 50.60000
• Density: 1.18g/cm³
• LogP: 2.73670
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 160.03804273
• Heavy Atom Count: 9
• Complexity: 97.5

Purity/Quality:

99% ^*data from raw suppliers

1,4-DITHIASPIRO[4.4]NONANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2(C1)SCCS2

Technology Process of Cyclopentanone ethylene dithioketal

There total 4 articles about Cyclopentanone ethylene dithioketal 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: 99.0%

ethane-1,2-dithiol (540-63-6) + cyclopentanone (120-92-3) → 1,4-dithiaspiro[4.4]nonane (176-39-6)

Guidance literature:

With silica gel; bis(trimethylsilyl)sulphate; In dichloromethane; for 1h; Ambient temperature;

DOI:10.1016/S0040-4039(00)61616-7

Reference yield: 89.0%

1,4-dioxaspiro[4.4]nonane (176-32-9) + ethane-1,2-dithiol (540-63-6) → 1,4-dithiaspiro[4.4]nonane (176-39-6)

Guidance literature:

With indium(III) chloride; In 1,2-dichloro-ethane; for 0.2h; Heating;

DOI:10.1055/s-2002-25347

Reference yield: 74.0%

cyclopentanone (120-92-3) + 2,2-dibutyl-1,3,2-dithiastannolane (7191-30-2) → 1,4-dithiaspiro[4.4]nonane (176-39-6)

Guidance literature:

di-n-butylbis(trifluoromethanesulfonyloxy)stannane; In 1,2-dichloro-ethane; at 35 ℃; for 20h;

DOI:10.1021/jo00070a038

upstream raw materials:

ethane-1,2-dithiol

cyclopentanone

2,2-dibutyl-1,3,2-dithiastannolane

1,4-dioxaspiro[4.4]nonane

Downstream raw materials:

cyclopentanone

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