1,4-Dioxa-7,10-diazacyclododecane

Base Information

• Chemical Name: 1,4-Dioxa-7,10-diazacyclododecane
• CAS No.: 60350-13-2
• Molecular Formula: C8H18 N2 O2
• Molecular Weight: 174.243
• Hs Code.: 2934999090
• European Community (EC) Number: 262-191-9
• DSSTox Substance ID: DTXSID20209114
• Nikkaji Number: J298.838K
• Wikidata: Q83083276
• Mol file: 60350-13-2.mol

Synonyms:1,4-Dioxa-7,10-diazacyclododecane;60350-13-2;EINECS 262-191-9;SCHEMBL10895263;DTXSID20209114

Chemical Property of 1,4-Dioxa-7,10-diazacyclododecane

Chemical Property:

• Vapor Pressure: 0.00154mmHg at 25°C
• Boiling Point: 295.3°C at 760 mmHg
• Flash Point: 115.9°C
• PSA: 42.52000
• Density: 0.931g/cm³
• LogP: -0.13000
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 174.136827821
• Heavy Atom Count: 12
• Complexity: 89.1

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCCOCCOCCN1

Technology Process of 1,4-Dioxa-7,10-diazacyclododecane

There total 4 articles about 1,4-Dioxa-7,10-diazacyclododecane 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: 66.0%

N,N'-ditosyl-1,4-dioxa-7,10-diazacyclododecane (60147-23-1) → 1,4-dioxa-7,10-diazacyclododecane (60350-13-2)

Guidance literature:

With sodium amalgam; In ethanol; Heating;

DOI:10.1039/DT9920003291

Reference yield:

triethylene glycol di-(p-toluenesulfonate) (19249-03-7) → 1,4-dioxa-7,10-diazacyclododecane (60350-13-2)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydride / N,N-dimethyl-formamide / 3 h / 100 °C / Inert atmosphere; Heating

2: phenol; hydrogen bromide; acetic acid / 72 h / 80 °C

With hydrogen bromide; sodium hydride; acetic acid; phenol; In N,N-dimethyl-formamide;

DOI:10.1002/ejic.201500596

Reference yield:

2,2'-[1,2-ethanediylbis(oxy)]bisethanol (112-27-6) → 1,4-dioxa-7,10-diazacyclododecane (60350-13-2)

Guidance literature:

Multi-step reaction with 3 steps

1: potassium hydroxide / dichloromethane / 3 h / 0 °C

2: sodium hydride / N,N-dimethyl-formamide / 3 h / 100 °C / Inert atmosphere; Heating

3: phenol; hydrogen bromide; acetic acid / 72 h / 80 °C

With hydrogen bromide; sodium hydride; acetic acid; potassium hydroxide; phenol; In dichloromethane; N,N-dimethyl-formamide;

DOI:10.1002/ejic.201500596

upstream raw materials:

N,N'-ditosyl-1,4-dioxa-7,10-diazacyclododecane

triethylene glycol di-(p-toluenesulfonate)

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