Benzenemethanamine, N-(4-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propoxy)phenyl)-, trihydrochloride

Base Information

• Chemical Name: Benzenemethanamine, N-(4-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propoxy)phenyl)-, trihydrochloride
• CAS No.: 104655-26-7
• Molecular Formula: C27H33 N3 O2 . 3 Cl H
• Molecular Weight: 540.961
• DSSTox Substance ID: DTXSID00146634
• Mol file: 104655-26-7.mol

Synonyms:Benzenemethanamine, N-(4-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propoxy)phenyl)-, trihydrochloride;N-(4-(3-(4-(2-Methoxyphenyl)-1-piperazinyl)propoxy)phenyl)benzenemethanamine 3HCl;104655-26-7;DTXSID00146634

Chemical Property of Benzenemethanamine, N-(4-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propoxy)phenyl)-, trihydrochloride

Chemical Property:

• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 539.187310
• Heavy Atom Count: 35
• Complexity: 497

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC=C1N2CCN(CC2)CCCOC3=CC=C(C=C3)NCC4=CC=CC=C4.Cl.Cl.Cl

Technology Process of Benzenemethanamine, N-(4-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propoxy)phenyl)-, trihydrochloride

There total 3 articles about Benzenemethanamine, N-(4-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propoxy)phenyl)-, trihydrochloride 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: 80.0%

1-<4-(Benzamido)phenoxy>-3-1-4-(2-methoxyphenyl)piperazinyl>>propane (104655-15-4) → 1-<4-(N-Benzylamino)phenoxy>-3-1-4-(2-methoxyphenyl)piperazinyl>>propane hydrochloride (104655-26-7)

Guidance literature:

With hydrogenchloride; lithium aluminium tetrahydride; In tetrahydrofuran; diethyl ether; 1.) THF, reflux, 2.) ether;

Reference yield:

benzoyl chloride (98-88-4) → 1-<4-(N-Benzylamino)phenoxy>-3-1-4-(2-methoxyphenyl)piperazinyl>>propane hydrochloride (104655-26-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 72.5 percent / 10percent NaOH / ethyl acetate / 4 h / 30 °C

2: 80 percent / 1.) LiAlH₄, 2.) HCl / tetrahydrofuran; diethyl ether / 1.) THF, reflux, 2.) ether

With hydrogenchloride; sodium hydroxide; lithium aluminium tetrahydride; In tetrahydrofuran; diethyl ether; ethyl acetate;

Reference yield:

1-(4-aminophenoxy)-3-1-4-(2-methoxyphenyl)-piperazinyl>>propane (104655-08-5) → 1-<4-(N-Benzylamino)phenoxy>-3-1-4-(2-methoxyphenyl)piperazinyl>>propane hydrochloride (104655-26-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 72.5 percent / 10percent NaOH / ethyl acetate / 4 h / 30 °C

2: 80 percent / 1.) LiAlH₄, 2.) HCl / tetrahydrofuran; diethyl ether / 1.) THF, reflux, 2.) ether

With hydrogenchloride; sodium hydroxide; lithium aluminium tetrahydride; In tetrahydrofuran; diethyl ether; ethyl acetate;

upstream raw materials:

1-<4-(Benzamido)phenoxy>-3-1-4-(2-methoxyphenyl)piperazinyl>>propane

benzoyl chloride

1-(4-aminophenoxy)-3-1-4-(2-methoxyphenyl)-piperazinyl>>propane