4-(Pentylsulfanyl)-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione

Base Information

• Chemical Name: 4-(Pentylsulfanyl)-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione
• CAS No.: 82813-65-8
• Molecular Formula: C₉H₁₆O₂S₂
• Molecular Weight: 220.357
• DSSTox Substance ID: DTXSID50513897
• Wikidata: Q82373912
• Mol file: 82813-65-8.mol

Synonyms:82813-65-8;DTXSID50513897;4-(Pentylsulfanyl)-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione

Chemical Property of 4-(Pentylsulfanyl)-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 220.05917210
• Heavy Atom Count: 13
• Complexity: 273

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCSC1=CS(=O)(=O)CC1

Technology Process of 4-(Pentylsulfanyl)-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione

There total 4 articles about 4-(Pentylsulfanyl)-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione 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:

3-hydroxy-4-pentylthiotetrahydrothiophene-1,1-dioxide (69663-07-6) → 3-Benzyloxy-4-pentylsulfanyl-tetrahydro-thiophene 1,1-dioxide (82813-77-2) + 3-pentylthio-4,5-dihydrothiophene-1,1-dioxide (82813-65-8)

Guidance literature:

With potassium hydroxide; Tri-n-octylamine; benzyl chloride; In water; at 20 ℃; for 10h; Yield given. Yields of byproduct given;

Reference yield:

benzyl chloride (100-44-7) + 3-hydroxy-4-pentylthiotetrahydrothiophene-1,1-dioxide (69663-07-6) → 3-Benzyloxy-4-pentylsulfanyl-tetrahydro-thiophene 1,1-dioxide (82813-77-2) + 3-pentylthio-4,5-dihydrothiophene-1,1-dioxide (82813-65-8)

Guidance literature:

With potassium hydroxide; Tri-n-octylamine; In water; at 20 ℃; for 10h; Yield given. Yields of byproduct given;

Reference yield:

3-Pentylsulfanyl-2,5-dihydro-thiophene 1,1-dioxide (82813-47-6) → 3-oxotetrahydrothiophene dioxide (17115-51-4) + 3-pentylthio-4,5-dihydrothiophene-1,1-dioxide (82813-65-8)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; for 4h; Heating;

upstream raw materials:

benzyl chloride

3-hydroxy-4-pentylthiotetrahydrothiophene-1,1-dioxide

3-Pentylsulfanyl-2,5-dihydro-thiophene 1,1-dioxide

Downstream raw materials:

3-oxotetrahydrothiophene dioxide