1-Benzylazepan-4-amine

Base Information

• Chemical Name: 1-Benzylazepan-4-amine
• CAS No.: 109105-51-3
• Molecular Formula: C13H20N2
• Molecular Weight: 204.315
• Hs Code.: 2933990090
• European Community (EC) Number: 868-322-1
• DSSTox Substance ID: DTXSID10596742
• Mol file: 109105-51-3.mol

Synonyms:1-Benzylazepan-4-amine;109105-51-3;1-Benzyl-hexahydro-4H-azepin-4-amine;1-benzyl-4-aminoazepane;SCHEMBL1061618;DTXSID10596742;AWOBBFYDHSJOIL-UHFFFAOYSA-N;MFCD04038555;AKOS015855097;AT27407;SB78350;DB-059810;CS-0440641;EN300-1705775;A851619

Chemical Property of 1-Benzylazepan-4-amine

Chemical Property:

• Vapor Pressure: 0.00114mmHg at 25°C
• Refractive Index: 1.548
• Boiling Point: 300.1 °C at 760 mmHg
• Flash Point: 125.1 °C
• PSA: 29.26000
• Density: 1.015 g/cm³
• LogP: 2.63800
• Storage Temp.: 2-8°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 204.162648646
• Heavy Atom Count: 15
• Complexity: 175

Purity/Quality:

97% ^*data from raw suppliers

1-benzylazepan-4-amine 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CCN(C1)CC2=CC=CC=C2)N

Technology Process of 1-Benzylazepan-4-amine

There total 4 articles about 1-Benzylazepan-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: 52.0%

1-benzylazepan-4-one (1208-75-9) → 1-benzyl-hexahydro-azepin-4-ylamine (109105-51-3)

Guidance literature:

With titanium(IV) isopropylate; sodium tetrahydroborate; ammonia; In ethanol;

DOI:10.1016/j.bmcl.2009.12.069

Reference yield: 37.0%

1-benzyl-4-azepanone oxime (82102-84-9) → 1-benzyl-hexahydro-azepin-4-ylamine (109105-51-3)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃; for 24h; Inert atmosphere; Reflux;

DOI:10.1016/j.bmcl.2012.01.045

Reference yield:

→ 1-benzyl-hexahydro-azepin-4-ylamine (109105-51-3) + bis-(1-benzyl-hexahydro-azepin-4-yl)-amine (119251-21-7)

Guidance literature:

With ethanol; ammonia; at 100 ℃;

DOI:10.1246/bcsj.31.418

upstream raw materials:

1-benzylazepan-4-one

1-benzyl-4-azepanone oxime

Downstream raw materials:

C₁₈H₂₃N₃O₄

C₁₅H₂₀N₂O₂

C₁₉H₂₃FN₂O₂S

C₁₆H₂₄N₂O