1,4,7,10,13,16,19-Heptaoxacyclohenicosane

Base Information

• Chemical Name: 1,4,7,10,13,16,19-Heptaoxacyclohenicosane
• CAS No.: 33089-36-0
• Molecular Formula: C14H28 O7
• Molecular Weight: 308.372
• European Community (EC) Number: 251-373-3
• UNII: GF978SJ9Z2
• DSSTox Substance ID: DTXSID50186747
• Nikkaji Number: J319.499J
• Wikipedia: 21-Crown-7
• Wikidata: Q55176433
• Mol file: 33089-36-0.mol

Synonyms:21-Crown-7;1,4,7,10,13,16,19-Heptaoxacyclohenicosane;33089-36-0;[21]Crown-7-ether;CCRIS 3602;EINECS 251-373-3;GF978SJ9Z2;UNII-GF978SJ9Z2;SCHEMBL3137753;DTXSID50186747;AC9243;MFCD00054526;C14-H28-O7;AS-82775;SY250768;LS-188567;Q55176433

Chemical Property of 1,4,7,10,13,16,19-Heptaoxacyclohenicosane

Chemical Property:

• Vapor Pressure: 8.09E-08mmHg at 25°C
• Boiling Point: 448.6°Cat760mmHg
• Flash Point: 184.7°C
• PSA: 64.61000
• Density: 0.995g/cm³
• LogP: 0.11620
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 308.18350323
• Heavy Atom Count: 21
• Complexity: 131

Purity/Quality:

98%Min ^*data from raw suppliers

21-CROWN-7 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCOCCOCCOCCOCCOCCO1

Technology Process of 1,4,7,10,13,16,19-Heptaoxacyclohenicosane

There total 30 articles about 1,4,7,10,13,16,19-Heptaoxacyclohenicosane 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: 68.0%

Tetraethylene glycol (112-60-7) + 1,2-bis(2-chloroethoxy)ethane (112-26-5,27252-69-3) → 1,4,7,10,13,16,10-heptaoxacyclohenicosane (33089-36-0)

Guidance literature:

With potassium hydroxide; for 0.166667h; microwave irradiation;

DOI:10.1080/10426500500271972

Reference yield: 59.0%

heptaethylene glycol (5617-32-3) → 1,4,7,10,13,16,10-heptaoxacyclohenicosane (33089-36-0)

Guidance literature:

With potassium hydroxide; p-toluenesulfonyl chloride; In 1,4-dioxane; at 50 ℃;

DOI:10.1246/bcsj.53.1689

Reference yield: 54.0%

tetraethylene glycol di(p-toluenesulfonate) (37860-51-8) + 2,2'-[1,2-ethanediylbis(oxy)]bisethanol (112-27-6) → 1,4,7,10,13,16,10-heptaoxacyclohenicosane (33089-36-0)

Guidance literature:

With aluminum oxide; potassium fluoride; In acetonitrile; for 72h; Ambient temperature;

DOI:10.1246/cl.1980.533

upstream raw materials:

18-crown-6 ether

heptaethylene glycol

Tetraethylene glycol

triethylene glycol di-(p-toluenesulfonate)

Downstream raw materials:

4-(1,4,7,10,13,16,19-Heptaoxa-cyclohenicos-2-yl)-2-methyl-quinoline

18-crown-6 ether

Refernces

• 1、 Rebek, J.,Luis, S.V.,Marshall, L.R.. "Slow Complexation Rates of Crown Ethers: What Is Taking So Long?". . p. 5011 - 5012. Retrieved 1986.
• 2、 Ziafati, Ahmad,Sabzevari, Omolbanin,Heravi, Majid M.. "Facile and rapid synthesis of some crown ethers under microwave irradiation". . p. 803 - 807. Retrieved 2007/10/03.
• 3、 Gibson, Harry W.,Bheda, Mukesh C.,Engen, Paul,Shen, Ya Xi,Sze, Jean,et al.. "Synthesis and Characterization of Large (30-60-Membered) Aliphatic Crown Ethers". . p. 2186 - 2196. Retrieved 2007/10/02.