(2-(Azepan-1-yl)phenyl)methanamine

Base Information

• Chemical Name: (2-(Azepan-1-yl)phenyl)methanamine
• CAS No.: 72752-55-7
• Molecular Formula: C13H20 N2
• Molecular Weight: 204.31
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID80442409
• Nikkaji Number: J1.504.525F
• Mol file: 72752-55-7.mol

Synonyms:72752-55-7;(2-(Azepan-1-yl)phenyl)methanamine;2-AZEPAN-1-YL-BENZYLAMINE;[2-(1-Azepanyl)phenyl]methanamine;[2-(azepan-1-yl)phenyl]methanamine;1-[2-(Azepan-1-yl)phenyl]methanamine;SCHEMBL16814951;DTXSID80442409;XCA75255;AKOS000261478;SB77499;FT-0681475;2-(Hexahydro-1H-azepine-1-yl)benzenemethanamine

Chemical Property of (2-(Azepan-1-yl)phenyl)methanamine

Chemical Property:

• PSA: 29.26000
• LogP: 3.29100
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 204.162648646
• Heavy Atom Count: 15
• Complexity: 173

Purity/Quality:

98%min ^*data from raw suppliers

[2-(azepan-1-yl)phenyl]methanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCN(CC1)C2=CC=CC=C2CN

Technology Process of (2-(Azepan-1-yl)phenyl)methanamine

There total 2 articles about (2-(Azepan-1-yl)phenyl)methanamine 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: 75.0%

hexamethylene imine (111-49-9) + 2-fluorobenzonitrile (394-47-8) → 2-(1-hexamethyleneimino)benzylamine (72752-55-7)

Guidance literature:

hexamethylene imine; With dimethylsulfide borane complex; In tetrahydrofuran; at 0 ℃;

With n-butyllithium; In tetrahydrofuran; hexane; at 0 ℃;

2-fluorobenzonitrile; In tetrahydrofuran; hexane; at 65 ℃; for 2h; Further stages.;

DOI:10.1021/jo001388j

Reference yield:

→ 2-(1-hexamethyleneimino)benzylamine (72752-55-7)

Guidance literature:

Hexamethylenimin 3, LiAlH4;

DOI:10.1002/ardp.19793121008

Reference yield:

2-(1-hexamethyleneimino)benzylamine (72752-55-7) + (S)-methyl3-(4-((amino(methylthio)methylene)carbamoyl)phenyl)-2-((tert-butoxycarbonyl)amino)propanoate → C30H41N5O5

Guidance literature:

With triethylamine; In toluene; at 110 ℃; for 6h;

DOI:10.1016/j.bmcl.2016.04.057

upstream raw materials:

hexamethylene imine

2-fluorobenzonitrile