1,4,7-Trioxacycloundecane-8,11-dione

Base Information

• Chemical Name: 1,4,7-Trioxacycloundecane-8,11-dione
• CAS No.: 7357-94-0
• Molecular Formula: C8H12 O5
• Molecular Weight: 188.18
• European Community (EC) Number: 230-891-3
• DSSTox Substance ID: DTXSID00223772
• Nikkaji Number: J212.357F
• Wikidata: Q83102266
• Mol file: 7357-94-0.mol

Synonyms:1,4,7-Trioxacycloundecane-8,11-dione;7357-94-0;EINECS 230-891-3;SCHEMBL8060202;DTXSID00223772;Succinic acid oxybisethylene ester

Chemical Property of 1,4,7-Trioxacycloundecane-8,11-dione

Chemical Property:

• Vapor Pressure: 2.85E-08mmHg at 25°C
• Boiling Point: 449.5°C at 760 mmHg
• Flash Point: 207.3°C
• PSA: 61.83000
• Density: 1.166g/cm³
• LogP: -0.11680
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 188.06847348
• Heavy Atom Count: 13
• Complexity: 169

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)OCCOCCOC1=O

Technology Process of 1,4,7-Trioxacycloundecane-8,11-dione

There total 2 articles about 1,4,7-Trioxacycloundecane-8,11-dione 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: 5.0%

succinoyl dichloride (543-20-4) + diethylene glycol (111-46-6) → 1,6,9,12,17,20-hexaoxacyclodocosane-2,5,13,16-tetraone (77022-93-6) + 1,4,7-trioxacycloundecane-8,11-dione (7357-94-0)

Guidance literature:

With potassium fluoride; N-benzyl-N,N,N-triethylammonium chloride; In benzene; for 4h; Ambient temperature;

Reference yield:

succinoyl dichloride (543-20-4) + diethylene glycol (111-46-6) → 1,4,7-trioxacycloundecane-8,11-dione (7357-94-0)

Guidance literature:

With di(n-butyl)tin oxide; Yield given. Multistep reaction; 1) benzene, reflux; 2) benzene, reflux;

DOI:10.1246/cl.1984.1985

upstream raw materials:

succinoyl dichloride

diethylene glycol

Refernces

• 1、 Singh, Paramjit,Kumar, Manoj,Singh, Harjit. "Synthesis of Macrocyclic Lactones and Ether Lactones under Solid-Liquid Phase Transfer Conditions". . p. 64 - 65. Retrieved 2007/10/02.