1,4,7,10,13,16-Hexaoxa-19-azacyclohenicosane

Base Information

• Chemical Name: 1,4,7,10,13,16-Hexaoxa-19-azacyclohenicosane
• CAS No.: 66843-21-8
• Molecular Formula: C14H29 N O6
• Molecular Weight: 307.387
• European Community (EC) Number: 266-494-7
• UNII: OEL610CH8V
• DSSTox Substance ID: DTXSID50216972
• Nikkaji Number: J310.159B
• Wikidata: Q27896378

Synonyms:1,4,7,10,13,16-Hexaoxa-19-azacyclohenicosane;66843-21-8;Aza-21-crown-7;EINECS 266-494-7;OEL610CH8V;UNII-OEL610CH8V;SCHEMBL8748868;DTXSID50216972;JBCHLRJXUSEBMN-UHFFFAOYSA-N;SR-01000389994;1 -aza-4,7,10,13,16,19-hexaoxacycloheneicosane;1-aza-4,7,10,13,16,19-hexaoxacycloheneicosane;SR-01000389994-1;Q27896378

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

Chemical Property:

• Vapor Pressure: 1.65E-08mmHg at 25°C
• Boiling Point: 456.2°Cat760mmHg
• Flash Point: 191.2°C
• PSA: 67.41000
• Density: 0.976g/cm³
• LogP: 0.01800
• XLogP3: -1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 307.19948764
• Heavy Atom Count: 21
• Complexity: 188

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCOCCOCCOCCOCCOCCN1

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

There total 5 articles about 1,4,7,10,13,16-Hexaoxa-19-azacyclohenicosane 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: 93.0%

N-benzyl monoaza-21-crown-7 (205248-60-8) → 1,4,7,10,13,16-hexaoxa-19-azacycloheneicosane (66843-21-8)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; for 12h;

DOI:10.1016/j.dyepig.2015.05.020

Reference yield: 77.0%

N-(p-tolylsulphonyl)-1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane (101210-54-2) → 1,4,7,10,13,16-hexaoxa-19-azacycloheneicosane (66843-21-8)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 24h; Heating;

Reference yield: 33.0%

penta(ethylene glycol) bis(p-toluenesulfonate) (41024-91-3) + 2,2'-iminobis[ethanol] (111-42-2) → 1,4,7,10,13,16-hexaoxa-19-azacycloheneicosane (66843-21-8)

Guidance literature:

With potassium tert-butylate; In 1,4-dioxane; tert-butyl alcohol; for 2h;

DOI:10.1246/bcsj.56.212

upstream raw materials:

N-(p-tolylsulphonyl)-1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane

penta(ethylene glycol) bis(p-toluenesulfonate)

2,2'-iminobis[ethanol]

N-benzyl monoaza-21-crown-7

Downstream raw materials:

N-<acetyl>-1-aza-21-crown-7

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