N-(azepan-1-yl)-1-(4-nitrophenyl)methanimine

Base Information

• Chemical Name: N-(azepan-1-yl)-1-(4-nitrophenyl)methanimine
• CAS No.: 16987-30-7
• Molecular Formula: C₁₃H₁₇N₃O₂
• Molecular Weight: 247.297
• DSSTox Substance ID: DTXSID10937696
• ChEMBL ID: CHEMBL1708099
• Mol file: 16987-30-7.mol

Synonyms:16987-30-7;MLS002694454;N-(azepan-1-yl)-1-(4-nitrophenyl)methanimine;NCIOpen2_004270;CHEMBL1708099;DTXSID10937696;HMS3089K22;SMR001560383

Chemical Property of N-(azepan-1-yl)-1-(4-nitrophenyl)methanimine

Chemical Property:

• Vapor Pressure: 2.49E-07mmHg at 25°C
• Boiling Point: 422°C at 760 mmHg
• Flash Point: 209°C
• Density: 1.2g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 247.132076794
• Heavy Atom Count: 18
• Complexity: 285

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCN(CC1)N=CC2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of N-(azepan-1-yl)-1-(4-nitrophenyl)methanimine

There total 1 articles about N-(azepan-1-yl)-1-(4-nitrophenyl)methanimine 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:

→ azepan-1-yl-(4-nitro-benzylidene)-amine (16987-30-7)

Guidance literature:

Erw. v. p-Nitrobenzaldehyd, 1,1-Hexamethylen-hydrazin in Ethanol;

Reference yield:

azepan-1-yl-(4-nitro-benzylidene)-amine (16987-30-7) → C13H16BrN3O2

Guidance literature:

With N-Bromosuccinimide; In acetonitrile; at 20 ℃; Sealed tube;

DOI:10.1002/ejoc.201700819

Reference yield:

azepan-1-yl-(4-nitro-benzylidene)-amine (16987-30-7) → 2-(4-nitrophenyl)-4-thioxo-1,3,5-triazaspiro[4.6]undec-1-en-5-ium-3-ide

Guidance literature:

Multi-step reaction with 2 steps

1: N-Bromosuccinimide / acetonitrile / 20 °C / Sealed tube

2: acetonitrile / 24 h / 20 °C / Sealed tube

With N-Bromosuccinimide; In acetonitrile;

DOI:10.1002/ejoc.201700819

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