2,2,4,4-Tetramethyl-3-(oxo-lambda~4~-sulfanylidene)pentane

Base Information

• Chemical Name: 2,2,4,4-Tetramethyl-3-(oxo-lambda~4~-sulfanylidene)pentane
• CAS No.: 56956-25-3
• Molecular Formula: C9H18OS
• Molecular Weight: 174.307
• DSSTox Substance ID: DTXSID40500913
• Mol file: 56956-25-3.mol

Synonyms:56956-25-3;DTXSID40500913;2,2,4,4-Tetramethyl-3-(oxo-lambda~4~-sulfanylidene)pentane

Chemical Property of 2,2,4,4-Tetramethyl-3-(oxo-lambda~4~-sulfanylidene)pentane

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 174.10783637
• Heavy Atom Count: 11
• Complexity: 171

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C(=S=O)C(C)(C)C

Technology Process of 2,2,4,4-Tetramethyl-3-(oxo-lambda~4~-sulfanylidene)pentane

There total 6 articles about 2,2,4,4-Tetramethyl-3-(oxo-lambda~4~-sulfanylidene)pentane 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: 79.0%

3,3-di-tert-butyldithiirane 1-oxide → 3,3-di-tert-butyldithiirane trans-1,2-dioxide + Di-t-butyl ketone (815-24-7) + 2,2,4,4-tetramethylpentane-3-thione S-oxide (56956-25-3)

Guidance literature:

With 3,3-dimethyldioxirane; In dichloromethane; at -20 ℃; for 2h;

DOI:10.1002/ejic.200700824

Reference yield: 75.0%

Di-tert-butyl thioketone (54396-69-9) → Di-t-butyl ketone (815-24-7) + 2,2,4,4-tetramethylpentane-3-thione S-oxide (56956-25-3)

Guidance literature:

With oxygen; methylene blue; In chloroform; Product distribution; Irradiation; other solvents, thioketone concentrations, and sources of singlet oxygen;

DOI:10.1021/jo00340a027

Reference yield: 20.0%

methanol (67-56-1) + di-tert-butylthioketene (16797-75-4) → 2,2,4,4-tetramethylpentane-3-thione S-oxide (56956-25-3) + 3,3-di-tert-butylthioketene S-oxide (16797-76-5) + methyl 1-tert-butyl-3,3-dimethyl-2-oxobutanesulfinate (79265-24-0)

Guidance literature:

With oxygen; In methanol;

DOI:10.1039/c39810000638

upstream raw materials:

methanol

di-tert-butylthioketene

Di-tert-butyl thioketone

Downstream raw materials:

(1-tert-Butyl-2,2-dimethyl-propylsulfanyl)-cyclohexane