Azocane-1-carbaldehyde

Base Information

• Chemical Name: Azocane-1-carbaldehyde
• CAS No.: 5661-91-6
• Molecular Formula: C8H15NO
• Molecular Weight: 141.2108
• DSSTox Substance ID: DTXSID50510886
• Wikidata: Q82369430
• Mol file: 5661-91-6.mol

Synonyms:Azocane-1-carbaldehyde;5661-91-6;azo cal;SCHEMBL518261;DTXSID50510886;AKOS014324236

Chemical Property of Azocane-1-carbaldehyde

Chemical Property:

• PSA: 20.31000
• LogP: 1.98270
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 141.115364102
• Heavy Atom Count: 10
• Complexity: 95.4

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCCN(CCC1)C=O

Technology Process of Azocane-1-carbaldehyde

There total 7 articles about Azocane-1-carbaldehyde 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: 98.3%

heptamethyleneimine (1121-92-2) + carbon monoxide (201230-82-2) → N-formylperhydroazocine (5661-91-6)

Guidance literature:

Na; In tetrahydrofuran; at 190 ℃; for 24h;

DOI:10.1016/0022-328X(89)80122-6

Reference yield: 64.0%

heptamethyleneimine (1121-92-2) + formic acid ethyl ester (109-94-4) → N-formylperhydroazocine (5661-91-6)

Guidance literature:

for 1h; Heating;

Reference yield: 1.0%

heptamethyleneimine (1121-92-2) → N-formylperhydroazocine (5661-91-6)

Guidance literature:

With sodium hydroxide; sodium persulfate; silver nitrate; In ammonium hydroxide; water; for 7h; below 10 deg C;

upstream raw materials:

heptamethyleneimine

chloral

carbon monoxide

formic acid ethyl ester

Downstream raw materials:

{(C₄H₂NC(C₆H₅))3(C₄HN(CH₂N(CH₂)7)C(C₆H₅))Cu}

1-formyloctahydroazocin-2-one

N-methylheptamethyleneimine

Refernces

• 1、 Suess-Fink, Georg,Langenbahn, Meinhard,Jenke, Thomas. "Rutheniumcluster als Katalysatoren fuer die Carbonylierung von cyclischen Aminen". . p. 103 - 110. Retrieved 2007/10/02.