5,5-(Dimethanesulfonate)dimethanol-2-phenyl-1,3-dioxane

Base Information

• Chemical Name: 5,5-(Dimethanesulfonate)dimethanol-2-phenyl-1,3-dioxane
• CAS No.: 582300-87-6
• Molecular Formula: C14H20O8S2
• Molecular Weight: 380.44
• DSSTox Substance ID: DTXSID60471257
• Wikidata: Q82299727
• Mol file: 582300-87-6.mol

Synonyms:582300-87-6;5,5-(Dimethanesulfonate)dimethanol-2-phenyl-1,3-dioxane;DTXSID60471257;AKOS015958304;(2-Phenyl-1,3-dioxane-5,5-diyl)bis(methylene) dimethanesulfonate

Chemical Property of 5,5-(Dimethanesulfonate)dimethanol-2-phenyl-1,3-dioxane

Chemical Property:

• PSA: 121.96000
• LogP: 2.83240
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 380.05995994
• Heavy Atom Count: 24
• Complexity: 550

Purity/Quality:

97% ^*data from raw suppliers

5,5-(DIMETHANESULFONATE)DIMETHANOL-2-PHENYL-1,3-DIOXANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)OCC1(COC(OC1)C2=CC=CC=C2)COS(=O)(=O)C

Technology Process of 5,5-(Dimethanesulfonate)dimethanol-2-phenyl-1,3-dioxane

There total 3 articles about 5,5-(Dimethanesulfonate)dimethanol-2-phenyl-1,3-dioxane 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: 77.0%

5,5-dihydroxymethyl-2-phenyl-1,3-dioxane (2425-41-4) + methanesulfonyl chloride (124-63-0) → 2-phenyl-5,5-bis(methylsulfonyloxymethyl)-1,3-dioxane (582300-87-6)

Guidance literature:

With pyridine; at 0 ℃; for 20h;

Reference yield:

Pentaerythritol (115-77-5) → 2-phenyl-5,5-bis(methylsulfonyloxymethyl)-1,3-dioxane (582300-87-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 68 percent / aq. hydrochloric acid / 25 °C

2: 77 percent / pyridine / 20 h / 0 °C

With pyridine; hydrogenchloride;

Reference yield:

benzaldehyde (100-52-7) → 2-phenyl-5,5-bis(methylsulfonyloxymethyl)-1,3-dioxane (582300-87-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 68 percent / aq. hydrochloric acid / 25 °C

2: 77 percent / pyridine / 20 h / 0 °C

With pyridine; hydrogenchloride;

upstream raw materials:

5,5-dihydroxymethyl-2-phenyl-1,3-dioxane

methanesulfonyl chloride

Pentaerythritol

benzaldehyde