1,4,7,10-Tetraoxa-13-azacyclopentadecane-13-carbonitrile

Base Information

• Chemical Name: 1,4,7,10-Tetraoxa-13-azacyclopentadecane-13-carbonitrile
• CAS No.: 80900-27-2
• Molecular Formula: C11H20 N2 O4
• Molecular Weight: 244.291
• European Community (EC) Number: 279-617-4
• DSSTox Substance ID: DTXSID801001623
• Nikkaji Number: J320.341G
• Wikidata: Q82995604
• Mol file: 80900-27-2.mol

Synonyms:1,4,7,10-Tetraoxa-13-azacyclopentadecane-13-carbonitrile;80900-27-2;EINECS 279-617-4;DTXSID801001623;NS00060618

Chemical Property of 1,4,7,10-Tetraoxa-13-azacyclopentadecane-13-carbonitrile

Chemical Property:

• Vapor Pressure: 4.77E-08mmHg at 25°C
• Boiling Point: 443.1°Cat760mmHg
• Flash Point: 221.8°C
• PSA: 63.95000
• Density: 1.12g/cm³
• LogP: -0.21262
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 244.14230712
• Heavy Atom Count: 17
• Complexity: 213

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCOCCOCCOCCN1C#N

Technology Process of 1,4,7,10-Tetraoxa-13-azacyclopentadecane-13-carbonitrile

There total 2 articles about 1,4,7,10-Tetraoxa-13-azacyclopentadecane-13-carbonitrile 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: 34.0%

CYANAMID (420-04-2) + 1,14-dichloro-3,6,9,12-tetraoxatetradecane (5197-65-9,27252-69-3) → N-cyano monoaza 15-crown-5 (80900-27-2)

Guidance literature:

With sodium hydride; sodium bromide; In dimethyl sulfoxide; at 40 ℃; for 2h;

DOI:10.1016/S0040-4039(01)82077-3

Reference yield: 12.0%

CYANAMID (420-04-2) + penta(ethylene glycol) bis(p-toluenesulfonate) (41024-91-3) → N-cyano monoaza 15-crown-5 (80900-27-2)

Guidance literature:

With sodium hydride; sodium bromide; In dimethyl sulfoxide; at 40 ℃; for 2h;

DOI:10.1016/S0040-4039(01)82077-3

Reference yield:

N-cyano monoaza 15-crown-5 (80900-27-2) → 1,4,7,10-tetraoxa-15-azacyclopentadecane (66943-05-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 95 percent / KCN / 20 h / Heating

2: aqueous AcOH / 24 h / Heating

With acetic acid; potassium cyanide;

DOI:10.1016/S0040-4039(01)82077-3

upstream raw materials:

CYANAMID

1,14-dichloro-3,6,9,12-tetraoxatetradecane

penta(ethylene glycol) bis(p-toluenesulfonate)

Downstream raw materials:

1,4,7,10-tetraoxa-15-azacyclopentadecane