1,3,6,9-Tetraoxacycloundecane

Base Information

• Chemical Name: 1,3,6,9-Tetraoxacycloundecane
• CAS No.: 294-59-7
• Molecular Formula: C7H14 O4
• Molecular Weight: 162.186
• DSSTox Substance ID: DTXSID10467180
• Nikkaji Number: J1.243.707B
• Wikidata: Q72507852
• Mol file: 294-59-7.mol

Synonyms:1,3,6,9-tetraoxacycloundecane;294-59-7;1,3,6,9-Tetraoxacycloundecan;SCHEMBL6239692;DTXSID10467180

Chemical Property of 1,3,6,9-Tetraoxacycloundecane

Chemical Property:

• Melting Point: 20-21℃
• Boiling Point: 61℃ (0.1 Torr)
• PSA: 36.92000
• LogP: 0.02390
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 162.08920892
• Heavy Atom Count: 11
• Complexity: 76.5

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCOCOCCO1

Technology Process of 1,3,6,9-Tetraoxacycloundecane

There total 4 articles about 1,3,6,9-Tetraoxacycloundecane 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: 80.0%

oxirane (75-21-8,99932-75-9) + 1,3-DIOXOLANE (646-06-0) → 1,3,6-trioxacyclooctane (1779-19-7,74485-37-3) + triethylene glycol formal (294-59-7,74485-42-0) + tetraethylene glycol formal (74485-47-5)

Guidance literature:

With boron trifluoride-butyl ether complex; at 30 ℃;

DOI:10.1016/S0040-4039(00)01870-0

Reference yield: 63.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 2,2'-[1,2-ethanediylbis(oxy)]bisethanol (112-27-6) → triethylene glycol formal (294-59-7,74485-42-0)

Guidance literature:

With PPA; In n-heptane; Heating;

DOI:10.1366/0003702001950580

Reference yield:

di-n-butyloxymethane (2568-90-3) + 2,2'-[1,2-ethanediylbis(oxy)]bisethanol (112-27-6) → triethylene glycol formal (294-59-7,74485-42-0)

Guidance literature:

at 220 ℃; in Gegenwart eines sauren Katalysators und Erhitzen des Reaktionsgemisches unter vermindertem Druck bis auf 250grad;

DOI:10.1021/ja01308a045

upstream raw materials:

di-n-butyloxymethane

2,2'-[1,2-ethanediylbis(oxy)]bisethanol

oxirane

1,3-DIOXOLANE

Refernces

• 1、 Yamasaki, Naoaki,Nagahara, Hajime,Masamoto, Junzo. "Novel ring-expansion reaction between cyclic formal and ethylene oxide". . p. 271 - 274. Retrieved 2007/10/03.