Azepan-4-amine

Base Information

• Chemical Name: Azepan-4-amine
• CAS No.: 108724-15-8
• Molecular Formula: C₆H₁₄N₂
• Molecular Weight: 114.191
• DSSTox Substance ID: DTXSID50400213
• Mol file: 108724-15-8.mol

Synonyms:Azepan-4-amine;108724-15-8;Hexahydro-1H-Azepin-4-amine;1H-Azepin-4-amine, hexahydro-;(S)-4-Aminoazepane;2165398-87-6;4-aminoazepane;SCHEMBL3282709;DTXSID50400213;Hexahydro-1H-azepin-4-amine HCl;MFCD32067709;AKOS013217438;AC-4607;SY280406;CS-0271304;FT-0653069;EN300-2991946

Chemical Property of Azepan-4-amine

Chemical Property:

• Vapor Pressure: 0.996mmHg at 25°C
• Refractive Index: 1.453
• Boiling Point: 178.3 °C at 760 mmHg
• PKA: 10.81±0.40(Predicted)
• Flash Point: 67.7 °C
• Density: 0.893 g/cm³
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 114.115698455
• Heavy Atom Count: 8
• Complexity: 63.5

Purity/Quality:

99% ^*data from raw suppliers

Hexahydro-1H-azepin-4-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CCNC1)N

Technology Process of Azepan-4-amine

There total 2 articles about Azepan-4-amine 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:

palladium dihydroxide + 1-benzyl-hexahydro-azepin-4-ylamine (109105-51-3) → hexahydro-azepin-4-ylamine (108724-15-8)

Guidance literature:

In methanol;

Reference yield:

→ hexahydro-azepin-4-ylamine (108724-15-8)

Guidance literature:

With water; palladium; Hydrogenation;

DOI:10.1246/bcsj.31.418

Reference yield:

hexahydro-azepin-4-ylamine (108724-15-8) + N-Boc-D-(4-Cl)Phe-OH (57292-44-1) → C20H30ClN3O3

Guidance literature:

With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 16h;

DOI:10.1016/j.bmcl.2011.05.092

upstream raw materials:

1-benzyl-hexahydro-azepin-4-ylamine

Downstream raw materials:

C₂₃H₂₇Cl₂N₃O₂

Refernces