N-Benzyl[4-(dimethylamino)phenyl]methanaminium

Base Information

• Chemical Name: N-Benzyl[4-(dimethylamino)phenyl]methanaminium
• CAS No.: 55096-85-0
• Molecular Formula: C16H20 N2
• Molecular Weight: 240.348
• Hs Code.: 2921590090
• DSSTox Substance ID: DTXSID20426263
• Wikidata: Q82239209
• Mol file: 55096-85-0.mol

Synonyms:N-Benzyl[4-(dimethylamino)phenyl]methanaminium;benzyl-[[4-(dimethylamino)phenyl]methyl]azanium;DTXSID20426263

Chemical Property of N-Benzyl[4-(dimethylamino)phenyl]methanaminium

Chemical Property:

• Vapor Pressure: 1.18E-05mmHg at 25°C
• Boiling Point: 369.5°C at 760 mmHg
• PKA: 9.33±0.20(Predicted)
• Flash Point: 146.2°C
• PSA: 15.27000
• Density: 1.046±0.06 g/cm3(Predicted)
• LogP: 3.43330
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 241.170473678
• Heavy Atom Count: 18
• Complexity: 213

Purity/Quality:

98%min ^*data from raw suppliers

[4-(Benzylamino-methyl)-phenyl]-dimethyl-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1=CC=C(C=C1)C[NH2+]CC2=CC=CC=C2

Technology Process of N-Benzyl[4-(dimethylamino)phenyl]methanaminium

There total 6 articles about N-Benzyl[4-(dimethylamino)phenyl]methanaminium 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: 93.0%

4-dimethylamino-benzaldehyde (100-10-7) + benzylamine (100-46-9) → 4-((benzylamino)methyl)-N,N-dimethylaniline (55096-85-0)

Guidance literature:

With acetic acid; 1-hydrosilatrane; at 20 ℃; for 1h; Green chemistry;

DOI:10.1002/adsc.201700079

Reference yield: 82.0%

4-dimethylamino-benzaldehyde (100-10-7) + benzylamine (100-46-9) → 4-((benzylamino)methyl)-N,N-dimethylaniline (55096-85-0) + N,N-dimethyl-4-hydroxymethylaniline (1703-46-4)

Guidance literature:

With 4,4'-di-tert-butylbiphenyl; lithium; In tetrahydrofuran; at 25 ℃; for 3h; Inert atmosphere;

DOI:10.1016/j.tetlet.2012.04.054

Reference yield: 68.0%

C20H30N2Si (1384953-85-8) → 4-((benzylamino)methyl)-N,N-dimethylaniline (55096-85-0)

Guidance literature:

C₂₀H₃₀N₂Si; With hydrogenchloride; In diethyl ether; at 23 ℃; for 1h; Inert atmosphere;

With sodium hydrogencarbonate; In methanol; water; at 23 ℃; for 2h; Inert atmosphere;

DOI:10.1021/ja304547s

upstream raw materials:

N-(p-dimethylaminobenzylidene)benzylamine

4-dimethylamino-benzaldehyde

benzylamine

C₂₀H₃₀N₂Si

Downstream raw materials:

benzyl-(4-dimethylamino-benzyl)-nitroso-amine

4-[(N-benzyl-hydrazino)-methyl]-N,N-dimethyl-aniline

N¹-Benzyl-N¹-(4-dimethylamino-benzyl)-pentane-1,5-diamine