1,3-Dioxolane, 2-methyl-2-[2-(phenylsulfonyl)ethyl]-

Base Information

• Chemical Name: 1,3-Dioxolane, 2-methyl-2-[2-(phenylsulfonyl)ethyl]-
• CAS No.: 56161-54-7
• Molecular Formula: C12H16O4S
• Molecular Weight: 256.323
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID40481172
• Nikkaji Number: J2.987.570G
• Wikidata: Q82316427
• Mol file: 56161-54-7.mol

Synonyms:56161-54-7;4-phenylsulfonyl-2-butanone ethylene acetal;1,3-Dioxolane, 2-methyl-2-[2-(phenylsulfonyl)ethyl]-;DTXSID40481172

Chemical Property of 1,3-Dioxolane, 2-methyl-2-[2-(phenylsulfonyl)ethyl]-

Chemical Property:

• PSA: 60.98000
• LogP: 2.69420
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 256.07693016
• Heavy Atom Count: 17
• Complexity: 332

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(OCCO1)CCS(=O)(=O)C2=CC=CC=C2

Technology Process of 1,3-Dioxolane, 2-methyl-2-[2-(phenylsulfonyl)ethyl]-

There total 5 articles about 1,3-Dioxolane, 2-methyl-2-[2-(phenylsulfonyl)ethyl]- 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: 94.0%

4-(phenylsulfonyl)butan-2-one (24731-39-3) + ethylene glycol (107-21-1) → 2-methyl-2-(2-(phenylsulfonyl)ethyl)-1,3-dioxolane (56161-54-7)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; for 18h; Heating;

Reference yield: 74.0%

2-methyl-1,3-dioxolane (497-26-7) + PVS (5535-48-8) → 2-methyl-2-(2-(phenylsulfonyl)ethyl)-1,3-dioxolane (56161-54-7)

Guidance literature:

With tetrabutylammonium decatungstate ammonium salt; sodium hydrogencarbonate; In acetonitrile; for 20h; Reagent/catalyst; Solvent; Catalytic behavior; UV-irradiation; Inert atmosphere;

DOI:10.1055/s-0037-1612079

Reference yield: 35.0%

2-methyl-1,3-dioxolane (497-26-7) + PVS (5535-48-8) → 2-methyl-2-(2-(phenylsulfonyl)ethyl)-1,3-dioxolane (56161-54-7) + 4-(phenylsulfonyl)butan-2-one (24731-39-3)

Guidance literature:

With thio-xanthene-9-one; caesium carbonate; In dichloromethane; for 20h; Catalytic behavior; Irradiation; Inert atmosphere;

DOI:10.1055/s-0037-1612079

upstream raw materials:

4-(phenylsulfonyl)butan-2-one

ethylene glycol

2-methyl-1,3-dioxolane

PVS

Downstream raw materials:

3-hepten-2-one

4-Benzenesulfonyl-heptan-2-one

4-dimethylphenylsilyl-4-phenylsulfonylbutan-2-one

4-tert-butyldimethylsilyl-4-phenylsulfonylbutan-2-one