1-Benzhydryl-4-(2,4-dimethoxycinnamyl)piperazine fumarate

Base Information

• Chemical Name: 1-Benzhydryl-4-(2,4-dimethoxycinnamyl)piperazine fumarate
• CAS No.: 104690-93-9
• Molecular Formula: C₄H₄O₄*C₂₈H₃₂N₂O₂
• Molecular Weight: 544.648
• Mol file: 104690-93-9.mol

Synonyms:1-Benzhydryl-4-(2,4-dimethoxycinnamyl)piperazine fumarate;104690-93-9;Piperazine, 1-(3-(2,4-dimethoxyphenyl)-2-propenyl)-4-(diphenylmethyl)-, (E)-2-butenedioate (1:1);SCHEMBL9809227;SCHEMBL9809229

Chemical Property of 1-Benzhydryl-4-(2,4-dimethoxycinnamyl)piperazine fumarate

Chemical Property:

• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 10
• Exact Mass: 544.25733687
• Heavy Atom Count: 40
• Complexity: 649

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)C=CCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)OC.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: COC1=CC(=C(C=C1)/C=C/CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)OC.C(=C/C(=O)O)\C(=O)O

Technology Process of 1-Benzhydryl-4-(2,4-dimethoxycinnamyl)piperazine fumarate

There total 5 articles about 1-Benzhydryl-4-(2,4-dimethoxycinnamyl)piperazine fumarate 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: 59.0%

(E)-1-(4-Benzhydryl-piperazin-1-yl)-3-(2,4-dimethoxy-phenyl)-propenone (104690-82-6) → 1-Benzhydryl-4-(2,4-dimethoxycinnamyl)-piperazine fumarate (104690-93-9)

Guidance literature:

With sodium bis(2-methoxyethoxy)aluminium dihydride; In toluene; for 0.5h;

DOI:10.1248/cpb.35.4124

Reference yield: 26.0%

→ 1-Benzhydryl-4-(2,4-dimethoxycinnamyl)-piperazine fumarate (104690-93-9)

Guidance literature:

Reference yield:

diphenylmethylpiperazine (841-77-0) → 1-Benzhydryl-4-(2,4-dimethoxycinnamyl)-piperazine fumarate (104690-93-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) triethylamine, ethyl chloroformate / 1.) tert-BuOH-MeCN, 0 deg C, 0.5 h; 2.) tert-BuOH-MeCN, room temp., 1 h

2: 59 percent / sodium bis(2-methoxyethoxy)aluminium hydride / toluene / 0.5 h

With chloroformic acid ethyl ester; triethylamine; sodium bis(2-methoxyethoxy)aluminium dihydride; In toluene;

DOI:10.1248/cpb.35.4124

upstream raw materials:

(E)-1-(4-Benzhydryl-piperazin-1-yl)-3-(2,4-dimethoxy-phenyl)-propenone

(E)-3-(2,4-dimethoxyphenyl)-2-propenoic acid

diphenylmethylpiperazine