1,4,7,10-Tetraoxacyclotridecane, 12-(2-phenyl-1,3-dioxan-5-yl)-

Base Information

• Chemical Name: 1,4,7,10-Tetraoxacyclotridecane, 12-(2-phenyl-1,3-dioxan-5-yl)-
• CAS No.: 109773-60-6
• Molecular Formula: C19H28O6
• Molecular Weight: 352.428
• DSSTox Substance ID: DTXSID40393004
• Mol file: 109773-60-6.mol

Synonyms:109773-60-6;1,4,7,10-Tetraoxacyclotridecane, 12-(2-phenyl-1,3-dioxan-5-yl)-;DTXSID40393004

Chemical Property of 1,4,7,10-Tetraoxacyclotridecane, 12-(2-phenyl-1,3-dioxan-5-yl)-

Chemical Property:

• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 352.18858861
• Heavy Atom Count: 25
• Complexity: 325

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCOCC(COCCO1)C2COC(OC2)C3=CC=CC=C3

Technology Process of 1,4,7,10-Tetraoxacyclotridecane, 12-(2-phenyl-1,3-dioxan-5-yl)-

There total 5 articles about 1,4,7,10-Tetraoxacyclotridecane, 12-(2-phenyl-1,3-dioxan-5-yl)- 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: 39.0%

2-phenyl-5-(2-hydroxy-1-hydroxymethylethyl)-1,3-dioxane (109773-71-9) + triethylene glycol di-(p-toluenesulfonate) (19249-03-7) → 3,16-bis(4-phenyl-3,5-dioxacyclohexyl)-1,5,8,11,14,18,21,24-octaoxacyclohexacosane (114014-93-6) + 3-(4-phenyl-3,5-dioxacyclohexyl)-1,5,8,11-tetraoxacyclotridecane (109773-60-6)

Guidance literature:

With sodium hydride; In 1,4-dioxane; 1.) 70 deg C, 1 h 2.) 80 deg C, 12 h;

DOI:10.1007/BF00475353

Reference yield:

2-phenyl-5-(2-hydroxy-1-hydroxymethylethyl)-1,3-dioxane (109773-71-9) + triethylene glycol di-(p-toluenesulfonate) (19249-03-7) → 3-(4-phenyl-3,5-dioxacyclohexyl)-1,5,8,11-tetraoxacyclotridecane (109773-60-6)

Guidance literature:

With sodium hydride; Yield given. Multistep reaction; 1.) dioxane, 70 deg C, 1 h, 2.) dioxane, 80 deg C, 12 h;

DOI:10.1055/s-1986-31826

Reference yield:

1,1,2,2-tetrahydroxymethylethane (5373-21-7) → 3-(4-phenyl-3,5-dioxacyclohexyl)-1,5,8,11-tetraoxacyclotridecane (109773-60-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 75 percent / aq. HCl / dimethylformamide / 5 h / 25 °C

2: 1.) NaH / 1.) dioxane, 70 deg C, 1 h, 2.) dioxane, 80 deg C, 12 h

With hydrogenchloride; sodium hydride; In N,N-dimethyl-formamide;

DOI:10.1055/s-1986-31826

upstream raw materials:

2-phenyl-5-(2-hydroxy-1-hydroxymethylethyl)-1,3-dioxane

triethylene glycol di-(p-toluenesulfonate)

1,1,2,2-tetrahydroxymethylethane

benzaldehyde