(2-Aminomethyl-benzyl)-diethyl-amine

Base Information

• Chemical Name: (2-Aminomethyl-benzyl)-diethyl-amine
• CAS No.: 84227-68-9
• Molecular Formula: C12H20N2
• Molecular Weight: 192.304
• DSSTox Substance ID: DTXSID90424554
• Wikidata: Q82237183
• Mol file: 84227-68-9.mol

Synonyms:(2-Aminomethyl-benzyl)-diethyl-amine;84227-68-9;1,2-Benzenedimethanamine,N1,N1-diethyl-;{2-[(diethylamino)methyl]phenyl}methanamine;N-[[2-(aminomethyl)phenyl]methyl]-N-ethylethanamine;N-(2-(Aminomethyl)benzyl)-N-ethylethanamine;SCHEMBL3957245;DTXSID90424554;3-(2-Hydroxyethyl)benzeneboronicacid;AKOS000264622;CS-0234753;EN300-14689;(2-Aminomethyl-benzyl)-diethyl-amine, AldrichCPR

Chemical Property of (2-Aminomethyl-benzyl)-diethyl-amine

Chemical Property:

• Vapor Pressure: 0.00637mmHg at 25°C
• Refractive Index: 1.534
• Boiling Point: 271.6 °C at 760 mmHg
• Flash Point: 111.5 °C
• PSA: 29.26000
• Density: 0.966 g/cm³
• LogP: 2.68740
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 192.162648646
• Heavy Atom Count: 14
• Complexity: 143

Purity/Quality:

98%min ^*data from raw suppliers

{2-[(diethylamino)methyl]phenyl}methanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CC1=CC=CC=C1CN

Technology Process of (2-Aminomethyl-benzyl)-diethyl-amine

There total 3 articles about (2-Aminomethyl-benzyl)-diethyl-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: 79.0%

o-(diethylaminomethyl)benzonitrile → N-(2-(aminomethyl)benzyl)-N-ethylethylamine (84227-68-9)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; at 0 - 20 ℃; for 12h; Inert atmosphere;

DOI:10.1371/journal.pone.0140878

Reference yield: 62.5%

diethylamine (109-89-7) + 2-(bromomethyl)benzonitrile (22115-41-9) → N-(2-(aminomethyl)benzyl)-N-ethylethylamine (84227-68-9)

Guidance literature:

diethylamine; 2-(bromomethyl)benzonitrile; With potassium carbonate; In acetonitrile; at 20 ℃;

With lithium aluminium tetrahydride; In diethyl ether; at 20 ℃; for 12h; Cooling with ice;

Reference yield:

2-(bromomethyl)benzonitrile (22115-41-9) → N-(2-(aminomethyl)benzyl)-N-ethylethylamine (84227-68-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 3 h / 20 °C

2: lithium aluminium tetrahydride / diethyl ether / 12 h / 0 - 20 °C / Inert atmosphere

With lithium aluminium tetrahydride; In diethyl ether;

DOI:10.1371/journal.pone.0140878

upstream raw materials:

2-(bromomethyl)benzonitrile

diethylamine

Downstream raw materials:

N,N-Diethyl 2-(p-aminobenzamidomethyl)-benzylamine

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