tert-Butyl sulfone

Base Information

• Chemical Name: tert-Butyl sulfone
• CAS No.: 1886-75-5
• Molecular Formula: C8H18O2S
• Molecular Weight: 178.296
• Hs Code.: 2904100000
• NSC Number: 179032
• DSSTox Substance ID: DTXSID80172234
• Nikkaji Number: J102.651H
• Wikidata: Q83042351
• Mol file: 1886-75-5.mol

Synonyms:tert-Butyl sulfone;Di-tert-Butyl sulfone;1886-75-5;2-tert-butylsulfonyl-2-methylpropane;Ditert-butyl sulfone;Propane, 2-[(1,1-dimethylethyl)sulfonyl]-2-methyl-;Propane, 2-((1,1-dimethylethyl)sulfonyl)-2-methyl-;t-butyl sulfone;2-(tert-Butylsulfonyl)-2-methylpropane;Di-tert-butyl sulphone;SCHEMBL776336;DTXSID80172234;SPJQDMKTFSPPLO-UHFFFAOYSA-N;NSC179032;AT38120;NSC 179032;NSC-179032;2-(tert-Butylsulfonyl)-2-methylpropane #;Propane,1-dimethylethyl)sulfonyl]-2-methyl-;2-((1,1-Dimethylethyl)-sulphonyl)-2-methylpropane;2-Methyl-2-(2-methyl-propane-2-sulfonyl)-propane

Chemical Property of tert-Butyl sulfone

Chemical Property:

• Vapor Pressure: 0.013mmHg at 25°C
• Melting Point: 129.9°C
• Refractive Index: 1.4433 (estimate)
• Boiling Point: 268°Cat760mmHg
• Flash Point: 113.5°C
• PSA: 42.52000
• Density: 0.981g/cm³
• LogP: 3.07900
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 178.10275099
• Heavy Atom Count: 11
• Complexity: 198

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Sulfur Compounds
• Canonical SMILES: CC(C)(C)S(=O)(=O)C(C)(C)C

Technology Process of tert-Butyl sulfone

There total 2 articles about tert-Butyl 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: 44.0%

sulfure de di tert-butyle (107-47-1) → di-tert-butyl disulfide (110-06-5) + t-butyl sulfone (1886-75-5)

Guidance literature:

With aluminum oxide; sodium chlorite; manganese(III) acetylacetonate; In acetone; at 20 ℃; for 0.25h;

Reference yield:

sulfure de di tert-butyle (107-47-1) → di-tert-butyl disulfide (110-06-5) + t-butyl sulfone (1886-75-5) + di-tert-butyl sulfoxide (2211-92-9)

Guidance literature:

With oxygen; titanium(IV) oxide; In acetonitrile; Rate constant; Product distribution; Irradiation;

DOI:10.1016/S0040-4039(00)94234-5

Reference yield:

t-butyl sulfone (1886-75-5) → isobutene (115-11-7,15220-85-6)

Guidance literature:

DOI:10.1021/ja01106a530

upstream raw materials:

sulfure de di tert-butyle

Downstream raw materials:

isobutene

Refernces

• 1、 Davidson, R. Stephen,Pratt, Julie E.. "The Titanium Dioxide Sensitised Photo-Oxidation of Sulphides". . p. 5903 - 5906. Retrieved 2007/10/02.