2,2-Diethylpropane-1,3-dithiol

Base Information

• Chemical Name: 2,2-Diethylpropane-1,3-dithiol
• CAS No.: 56472-17-4
• Molecular Formula: C7H16S2
• Molecular Weight: 164.336
• DSSTox Substance ID: DTXSID00392356
• Nikkaji Number: J828.616G
• Wikidata: Q82190509

Synonyms:2,2-Diethyl-1,3-propanedithiol;2,2-diethylpropane-1,3-dithiol;56472-17-4;SCHEMBL1061087;DTXSID00392356

Chemical Property of 2,2-Diethylpropane-1,3-dithiol

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 164.06934286
• Heavy Atom Count: 9
• Complexity: 61.3

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(CC)(CS)CS

Technology Process of 2,2-Diethylpropane-1,3-dithiol

There total 2 articles about 2,2-Diethylpropane-1,3-dithiol 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:

4-(2-ethyl-2-mercaptomethylbutylthiomethyl)pyridine (180688-93-1) → 2,2-diethylpropane-1,3-dithiol (56472-17-4) + 1,1-bis(mercartomethyl)cyclohexane (56472-19-6) + 5,5-diethyl-2-(4-pyridyl)-1,3-dithiane + 3-(4-pyridyl)-2,4-dithiaspiro[5.5]undecane

Guidance literature:

With 4,4-pentamethylene-1,2-dithiolane; N,N,N,N,N,N-hexamethylphosphoric triamide; lithium diisopropyl amide; In tetrahydrofuran; for 4h; Further byproducts given. Yields of byproduct given. Title compound not separated from byproducts; Ambient temperature;

DOI:10.1080/10426509608046352

Reference yield:

4,4-pentamethylene-1,2-dithiolane (176-72-7) + 4-(2-ethyl-2-mercaptomethylbutylthiomethyl)pyridine (180688-93-1) → 2,2-diethylpropane-1,3-dithiol (56472-17-4) + 1,1-bis(mercartomethyl)cyclohexane (56472-19-6) + 5,5-diethyl-2-(4-pyridyl)-1,3-dithiane + 3-(4-pyridyl)-2,4-dithiaspiro[5.5]undecane

Guidance literature:

With N,N,N,N,N,N-hexamethylphosphoric triamide; lithium diisopropyl amide; In tetrahydrofuran; for 4h; Further byproducts given. Yields of byproduct given. Title compound not separated from byproducts; Ambient temperature;

DOI:10.1080/10426509608046352

Reference yield: 88.0%

2,2-diethylpropane-1,3-dithiol (56472-17-4) + 2-Chloronitrobenzene (88-73-3) → 2,2-diethyl-1,3-bis(2-nitrophenylthio)propane

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 50 ℃; for 8h;

DOI:10.1007/s11172-006-0232-0

upstream raw materials:

4,4-pentamethylene-1,2-dithiolane

4-(2-ethyl-2-mercaptomethylbutylthiomethyl)pyridine

Downstream raw materials:

(R)-((1S,3S)-5,5-Diethyl-1,3-dioxo-1λ⁴,3λ⁴-[1,3]dithian-2-yl)-phenyl-methanol

(S)-((1S,3S)-5,5-Diethyl-1,3-dioxo-1λ⁴,3λ⁴-[1,3]dithian-2-yl)-phenyl-methanol

5,5-diethyl-2-phenethyl-1,3-dithiane

3-(5,5-diethyl-1,1-dioxido-2-phenethyl-1,3-dithian-2-yl)cyclohexan-1-one

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