3-Chloropropyl 1,1-dimethylethyl sulfone

Base Information

• Chemical Name: 3-Chloropropyl 1,1-dimethylethyl sulfone
• CAS No.: 89940-24-9
• Molecular Formula: C₇H₁₅ClO₂S
• Molecular Weight: 198.714
• NSC Number: 51006
• DSSTox Substance ID: DTXSID50287425
• Wikidata: Q82023463
• Mol file: 89940-24-9.mol

Synonyms:89940-24-9;3-chloropropyl 1,1-dimethylethyl sulfone;NSC51006;SCHEMBL1148940;DTXSID50287425;UDOAUTTXEQXIMQ-UHFFFAOYSA-N;NSC-51006;1-CHLORO-3-(2-METHYLPROPANE-2-SULFONYL)PROPANE

Chemical Property of 3-Chloropropyl 1,1-dimethylethyl sulfone

Chemical Property:

• Vapor Pressure: 0.000768mmHg at 25°C
• Boiling Point: 316.3°Cat760mmHg
• Flash Point: 145.1°C
• Density: 1.125g/cm³
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 198.0481286
• Heavy Atom Count: 11
• Complexity: 196

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Chloropropyl 1,1-dimethylethyl sulfone

There total 4 articles about 3-Chloropropyl 1,1-dimethylethyl sulfone 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: 80.0%

3-chloropropyl 1,1-dimethylethyl thioether (37721-60-1) → 1-chloro-3-tert-butylsulfonylpropane (89940-24-9)

Guidance literature:

With 2,6-di-tert-butyl-pyridine; tert-butylammonium hexafluorophosphate(V); In water; acetonitrile; for 12h; electrolysis at controlled potential;

Reference yield: 80.0%

1-chloro-3-t-butylsulfinylpropane (128147-23-9) → 1-chloro-3-tert-butylsulfonylpropane (89940-24-9)

Guidance literature:

With 2,6-di-tert-butyl-pyridine; tert-butylammonium hexafluorophosphate(V); In water; acetonitrile; electrolyis at controlled potential;

Reference yield:

3-chloropropyl 1,1-dimethylethyl thioether (37721-60-1) + 3-bromopropyl 1,1-dimethylethyl sulfide (119549-23-4) → 1-chloro-3-tert-butylsulfonylpropane (89940-24-9) + 1-bromo-3-(2-methyl-propane-2-sulfonyl)-propane (5755-80-6)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 20 ℃;

upstream raw materials:

3-chloropropyl 1,1-dimethylethyl thioether

1-chloro-3-t-butylsulfinylpropane

3-tert-butylsulfido-1-propanol

3-bromopropyl 1,1-dimethylethyl sulfide