1-Azacyclooctadecane

Base Information

• Chemical Name: 1-Azacyclooctadecane
• CAS No.: 296-19-5
• Molecular Formula: C₁₇H₃₅N
• Molecular Weight: 253.472
• DSSTox Substance ID: DTXSID40592570
• Nikkaji Number: J79.587I
• Wikidata: Q82486749
• Mol file: 296-19-5.mol

Synonyms:296-19-5;1-Azacyclooctadecane;azacyclooctadecan;Azacyclooctadecane;SCHEMBL1913932;DTXSID40592570

Chemical Property of 1-Azacyclooctadecane

Chemical Property:

• PSA: 12.03000
• LogP: 5.76990
• XLogP3: 7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 253.276950121
• Heavy Atom Count: 18
• Complexity: 140

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCCCCCCNCCCCCCCC1

Technology Process of 1-Azacyclooctadecane

There total 3 articles about 1-Azacyclooctadecane 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:

dihydrocivetone (68263-62-7) → azacyclooctadecane (296-19-5)

Guidance literature:

With lithium aluminium tetrahydride; diethyl ether;

Reference yield:

azacyclooctadecane-2-thione → azacyclooctadecane (296-19-5)

Guidance literature:

With ethanol; sulfuric acid;

DOI:10.1002/hlca.19350180185

Reference yield:

cycloheptadecanone (3661-77-6) → azacyclooctadecane (296-19-5)

Guidance literature:

Multi-step reaction with 3 steps

1: sulfuric acid; benzene; hydrazoic acid / unter Kuehlung

2: xylene; phosphorus (V)-sulfide / 110 °C

3: aqueous ethanol; sulfuric acid; lead-cathode

With hydrogen azide; ethanol; sulfuric acid; phosphorous (V) sulfide; xylene; benzene;

DOI:10.1002/hlca.19350180185

upstream raw materials:

dihydrocivetone

cycloheptadecanone