1,3-Dioxolane, 2-[2-(phenylthio)ethyl]-

Base Information

• Chemical Name: 1,3-Dioxolane, 2-[2-(phenylthio)ethyl]-
• CAS No.: 56161-48-9
• Molecular Formula: C11H14O2S
• Molecular Weight: 210.297
• DSSTox Substance ID: DTXSID90463721
• Wikidata: Q82288735
• Mol file: 56161-48-9.mol

Synonyms:56161-48-9;1,3-Dioxolane, 2-[2-(phenylthio)ethyl]-;DTXSID90463721;EN300-394020;2-[2-(PHENYLSULFANYL)ETHYL]-1,3-DIOXOLANE

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

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 210.07145086
• Heavy Atom Count: 14
• Complexity: 151

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC(O1)CCSC2=CC=CC=C2

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

There total 2 articles about 1,3-Dioxolane, 2-[2-(phenylthio)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: 82.0%

2-bromo-2-(2-ethyl)dioxolane (18742-02-4) + S-Phenyl benzenethiosulfonate (1212-08-4) → 2-<2-(phenylthio)ethyl>-1,3-dioxolane (56161-48-9)

Guidance literature:

With [2,2]bipyridinyl; nickel(II) bromide diethylene glycol dimethyl ether; In N,N-dimethyl-formamide; at 25 ℃; for 3h; Inert atmosphere; Electrochemical reaction;

DOI:10.1002/chem.202005449

Reference yield:

ethylene glycol (107-21-1) + thiophenol (108-98-5) + acrolein (107-02-8,25068-14-8) → 2-<2-(phenylthio)ethyl>-1,3-dioxolane (56161-48-9)

Guidance literature:

Multistep reaction;

DOI:10.1016/S0040-4039(00)83961-1

Reference yield: 71.0%

2-<2-(phenylthio)ethyl>-1,3-dioxolane (56161-48-9) → 2-<2-(phenylsulfonyl)ethyl>-1,3-dioxolane (56161-51-4) + 2-(2-benzenesulfinyl-ethyl)-[1,3]dioxolane

Guidance literature:

With dihydrogen peroxide; phosphotungstate-non-cross-linked amphiphilic polymer compl; at 50 ℃; for 4h;

DOI:10.1055/s-2002-35596

upstream raw materials:

ethylene glycol

thiophenol

acrolein

2-bromo-2-(2-ethyl)dioxolane

Downstream raw materials:

(+/-)-2-<2-chloro-2-(phenylthio)ethyl>-1,3-dioxolane

2-((Z)-2-Phenylsulfanyl-vinyl)-[1,3]dioxolane

(E)-2-<2-(phenylthio)ethenyl>-1,3-dioxolane

2-<2-(phenylsulfonyl)ethyl>-1,3-dioxolane