N-(Azepan-1-YL)-1-phenyl-methanimine

Base Information

• Chemical Name: N-(Azepan-1-YL)-1-phenyl-methanimine
• CAS No.: 16987-41-0
• Molecular Formula: C13H18 N2
• Molecular Weight: 202.3
• Hs Code.: 2933990090
• NSC Number: 82281
• Mol file: 16987-41-0.mol

Synonyms:16987-41-0;N-(AZEPAN-1-YL)-1-PHENYL-METHANIMINE;(E)-N-(azepan-1-yl)-1-phenylmethanimine;n-benzylideneazepan-1-amine;MLS002694480;NSC82281;NSC-82281

Chemical Property of N-(Azepan-1-YL)-1-phenyl-methanimine

Chemical Property:

• Vapor Pressure: 6.41E-05mmHg at 25°C
• Boiling Point: 344.8°Cat760mmHg
• PKA: 2.89±0.20(Predicted)
• Flash Point: 162.3°C
• PSA: 15.60000
• Density: 1g/cm³
• LogP: 2.83440
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 202.146998583
• Heavy Atom Count: 15
• Complexity: 187

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCN(CC1)N=CC2=CC=CC=C2
• Isomeric SMILES: C1CCCN(CC1)/N=C/C2=CC=CC=C2

Technology Process of N-(Azepan-1-YL)-1-phenyl-methanimine

There total 1 articles about N-(Azepan-1-YL)-1-phenyl-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: 70.0%

1-azepanylamine (5906-35-4) + benzaldehyde (100-52-7) → (E)-N-(azepan-1-yl)-1-phenylmethanimine (16987-41-0)

Guidance literature:

With magnesium sulfate; In dichloromethane; at 20 ℃;

DOI:10.1021/acs.orglett.7b00117

Reference yield: 75.0%

terephthalonitrile (623-26-7) + (E)-N-(azepan-1-yl)-1-phenylmethanimine (16987-41-0) → 4-[1-[(E)-benzylideneamino]azepan-2-yl]benzonitrile + 1-[(E)-benzylideneamino]azepan-2-carbonitrile

Guidance literature:

With tris[2-phenylpyridinato-C₂,N]iridium(III); lithium acetate; In dimethyl sulfoxide; at 40 ℃; for 0.166667h; Inert atmosphere; Irradiation;

DOI:10.1021/acs.orglett.7b00117

Reference yield:

Azepan-1-yl-[1-phenyl-meth-(E)-ylidene]-amine (16987-41-0) → N,N-hexamethylenebenzothiohydrazide (117834-84-1)

Guidance literature:

With sulfur dichloride; triethylamine; 1.) -50 deg C, 1 h, 2.) r.t.;

upstream raw materials:

1-azepanylamine

benzaldehyde

Downstream raw materials:

N,N-hexamethylenebenzothiohydrazide