N,N-Dibenzylhexan-1-amine

Base Information

• Chemical Name: N,N-Dibenzylhexan-1-amine
• CAS No.: 22014-92-2
• Molecular Formula: C20H27N
• Molecular Weight: 281.441
• DSSTox Substance ID: DTXSID00573249
• Nikkaji Number: J1.452.643I
• Wikidata: Q82461886
• Mol file: 22014-92-2.mol

Synonyms:22014-92-2;Hexyldibenzylamine;N,N-Dibenzylhexan-1-amine;Benzenemethanamine, N-hexyl-N-(phenylmethyl)-;SCHEMBL11816138;DTXSID00573249

Chemical Property of N,N-Dibenzylhexan-1-amine

Chemical Property:

• Boiling Point: 369.6±11.0 °C(Predicted)
• PSA: 3.24000
• Density: 0.973±0.06 g/cm3(Predicted)
• LogP: 5.26910
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 9
• Exact Mass: 281.214349865
• Heavy Atom Count: 21
• Complexity: 218

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCN(CC1=CC=CC=C1)CC2=CC=CC=C2

Technology Process of N,N-Dibenzylhexan-1-amine

There total 11 articles about N,N-Dibenzylhexan-1-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: 97.0%

N,N-dibenzyl-O-benzoylhydroxylamine (52742-32-2) + C13H13Cl3O2 → N,N-Dibenzyl-N-hexylamine (22014-92-2)

Guidance literature:

With (S)-(+)-5,5’-bis[di(3,5-di-tert-butyl-4-methoxyphenyl)phosphino]-4,4’-bi-1,3-benzodioxole; diethoxymethylsilane; (triphenylphosphine)copper(I) hydride hexamer; In tetrahydrofuran; at 20 ℃; for 84h; regioselective reaction; Inert atmosphere; Sealed tube;

DOI:10.1002/anie.201509235

Reference yield: 84.0%

dibenzylamine (103-49-1) + hexan-1-ol (111-27-3) → N,N-Dibenzyl-N-hexylamine (22014-92-2)

Guidance literature:

With chloro(η⁵-pentamethylcyclopentadienyl)(L-prolinato)iridium(III); In toluene; at 130 ℃; for 36h; Inert atmosphere; Sealed tube;

DOI:10.1021/ol303075h

Reference yield: 83.0%

(E)-N-benzylidenebenzylamine (27845-50-7) + hexan-1-ol (111-27-3) → N,N-Dibenzyl-N-hexylamine (22014-92-2)

Guidance literature:

With C₂₅H₂₇ClIrN₄⁽¹⁺⁾*Cl^(1-); caesium carbonate; In tert-Amyl alcohol; at 125 ℃; for 12h; Schlenk technique;

DOI:10.1016/j.jcat.2021.08.037

upstream raw materials:

hexanal

dibenzylamine

tribenzylamine

hexan-1-ol

Downstream raw materials:

N-benzylhexylamine