N-[4-(aminomethyl)benzyl]-N,N-diethylamine

Base Information

• Chemical Name: N-[4-(aminomethyl)benzyl]-N,N-diethylamine
• CAS No.: 84227-70-3
• Molecular Formula: C12H20 N2
• Molecular Weight: 192.304
• Hs Code.: 2921590090
• DSSTox Substance ID: DTXSID20427871
• Wikidata: Q82240595
• Mol file: 84227-70-3.mol

Synonyms:84227-70-3;N-[4-(aminomethyl)benzyl]-N,N-diethylamine;(4-Aminomethylbenzyl)diethylamine;N-[[4-(aminomethyl)phenyl]methyl]-N-ethylethanamine;N-(4-(Aminomethyl)benzyl)-N-ethylethanamine;{4-[(diethylamino)methyl]phenyl}methanamine;4-diethylaminomethyl-benzylamine;SCHEMBL4371629;DTXSID20427871;UYVJKNXIPRXTID-UHFFFAOYSA-N;MFCD07343995;(4-aminomethyl-benzyl)-diethyl-amine;AKOS000264621;N1,N1-Diethyl-1,4-benzenedimethanamine;BS-25886;CS-0213078;EN300-14490;(4-Aminomethylbenzyl)diethylamine dihydrochloride

Chemical Property of N-[4-(aminomethyl)benzyl]-N,N-diethylamine

Chemical Property:

• Vapor Pressure: 0.00461mmHg at 25°C
• Boiling Point: 277.1°C at 760 mmHg
• Flash Point: 114°C
• PSA: 29.26000
• Density: 0.966g/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: 135

Purity/Quality:

95% ^*data from raw suppliers

{4-[(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=C(C=C1)CN

Technology Process of N-[4-(aminomethyl)benzyl]-N,N-diethylamine

There total 2 articles about N-[4-(aminomethyl)benzyl]-N,N-diethylamine 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: 67.0%

p-(diethylaminomethyl)benzonitrile (69293-74-9) → p-(diethylaminomethyl)benzylamine (84227-70-3)

Guidance literature:

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

DOI:10.1371/journal.pone.0140878

Reference yield:

4-cyanobenzyl bromide (17201-43-3) → p-(diethylaminomethyl)benzylamine (84227-70-3)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether

2: Raney nickel; tetralin / 70 °C / 58840.6 Torr / Hydrogenation

With tetralin; diethyl ether; nickel;

DOI:10.1080/07315724.2002.10719222

Reference yield: 60.0%

p-(diethylaminomethyl)benzylamine (84227-70-3) + 4-nitro-benzoyl chloride (122-04-3) → N,N-Diethyl 4-(p-nitrobenzamidomethyl)-benzylamine (84227-73-6)

Guidance literature:

With potassium carbonate; In benzene; Heating;

DOI:10.1002/ardp.19823151205

upstream raw materials:

p-(diethylaminomethyl)benzonitrile

4-cyanobenzyl bromide

Downstream raw materials:

N,N-diethyl-N'-(1-ethyl-[3]piperidyl)-p-xylylenediamine

(4-((diethylamino)methyl)phenyl)methanol

N,N-Diethyl 4-(p-nitrobenzamidomethyl)-benzylamine

2-Amino-4-(4-diethylaminomethyl-benzylamino)-6-furan-2-yl-pyrimidine-5-carbonitrile

Refernces