13-Methyl-1,4,7,10-tetraoxa-13-azacyclopentadecane

Base Information

• Chemical Name: 13-Methyl-1,4,7,10-tetraoxa-13-azacyclopentadecane
• CAS No.: 69978-46-7
• Molecular Formula: C11H23 N O4
• Molecular Weight: 233.308
• European Community (EC) Number: 274-241-7
• DSSTox Substance ID: DTXSID00220246
• Nikkaji Number: J318.100F
• Wikidata: Q83097410
• Mol file: 69978-46-7.mol

Synonyms:13-Methyl-1,4,7,10-tetraoxa-13-azacyclopentadecane;69978-46-7;EINECS 274-241-7;SCHEMBL12014324;DTXSID00220246;STL333488;AKOS022112087;1-methyl-4,7,10,13-tetraoxa-1-azacyclopentadecan

Chemical Property of 13-Methyl-1,4,7,10-tetraoxa-13-azacyclopentadecane

Chemical Property:

• Vapor Pressure: 0.000111mmHg at 25°C
• Boiling Point: 336.6°C at 760 mmHg
• Flash Point: 99.2°C
• PSA: 40.16000
• Density: 0.966g/cm³
• LogP: -0.06390
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 233.16270821
• Heavy Atom Count: 16
• Complexity: 141

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCOCCOCCOCCOCC1

Technology Process of 13-Methyl-1,4,7,10-tetraoxa-13-azacyclopentadecane

There total 7 articles about 13-Methyl-1,4,7,10-tetraoxa-13-azacyclopentadecane 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: 37.0%

dimethyl sulfate (77-78-1) + 1,4,7,10-tetraoxa-15-azacyclopentadecane (66943-05-3) → 13-methyl-1,4,7,10-tetraoxa-13-azacyclopentadecane (69978-46-7)

Guidance literature:

With sodium carbonate; In acetonitrile; for 24h; Heating;

DOI:10.1021/ja00309a039

Reference yield:

1-benzyl-1-aza-15-crown-5 (71089-11-7) → 13-methyl-1,4,7,10-tetraoxa-13-azacyclopentadecane (69978-46-7)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂

2: Na₂CO₃

With hydrogen; sodium carbonate;

DOI:10.1039/c39820000242

Reference yield:

N-methyl-6-aza-3,9,12-trioxatetradecane-1,14-diol (73403-53-9) → 13-methyl-1,4,7,10-tetraoxa-13-azacyclopentadecane (69978-46-7)

Guidance literature:

With sodium hydroxide; p-toluenesulfonyl chloride; In 1,4-dioxane;

DOI:10.1016/S0040-4039(01)95200-1

upstream raw materials:

N-methyl-6-aza-3,9,12-trioxatetradecane-1,14-diol

formic acid

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

methyl p-toluene sulfonate

Downstream raw materials:

N-dodecyl-N-methylmonoazonium 15-crown-5 bromide

C₃₀H₅₂N₂O₉