1-(4-(2,5-Dimethoxyphenyl)-1-oxo-4-phenylbutyl)-4-methylpiperazine monohydrochloride

Base Information

• Chemical Name: 1-(4-(2,5-Dimethoxyphenyl)-1-oxo-4-phenylbutyl)-4-methylpiperazine monohydrochloride
• CAS No.: 104688-82-6
• Molecular Formula: C₂₃H₃₀N₂O₃*ClH
• Molecular Weight: 418.964
• DSSTox Substance ID: DTXSID70909132
• Mol file: 104688-82-6.mol

Synonyms:1-(4-(2,5-Dimethoxyphenyl)-1-oxo-4-phenylbutyl)-4-methylpiperazine monohydrochloride;4-(2,5-Dimethoxyphenyl)-4-phenylbutyric acid, N-methylpiperazinyl amide;Piperazine, 1-(4-(2,5-dimethoxyphenyl)-1-oxo-4-phenylbutyl)-4-methyl-, monohydrochloride;104688-82-6;SCHEMBL9692911;DTXSID70909132;LS-111798;4-(2,5-Dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)-4-phenylbutan-1-one--hydrogen chloride (1/1)

Chemical Property of 1-(4-(2,5-Dimethoxyphenyl)-1-oxo-4-phenylbutyl)-4-methylpiperazine monohydrochloride

Chemical Property:

• Vapor Pressure: 1.3E-12mmHg at 25°C
• Boiling Point: 561°C at 760 mmHg
• Flash Point: 293.1°C
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 418.2023205
• Heavy Atom Count: 29
• Complexity: 473

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN(CC1)C(=O)CCC(C2=CC=CC=C2)C3=C(C=CC(=C3)OC)OC.Cl

Technology Process of 1-(4-(2,5-Dimethoxyphenyl)-1-oxo-4-phenylbutyl)-4-methylpiperazine monohydrochloride

There total 6 articles about 1-(4-(2,5-Dimethoxyphenyl)-1-oxo-4-phenylbutyl)-4-methylpiperazine monohydrochloride 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: 49.0%

diazomethane (186581-53-3,908094-01-9,334-88-3) + 4-(2-Hydroxy-5-methoxyphenyl)-4-phenylbutyric Acid, N-Methylpiperazinyl Amide (104688-41-7) → 4-(2,5-Dimethoxyphenyl)-4-phenylbutyric acid, N-Methylpiperazinyl Amide Hydrochloride (104688-82-6)

Guidance literature:

With silica gel; In diethyl ether; Ambient temperature;

DOI:10.1248/cpb.38.1570

Reference yield:

1-methyl-piperazine (109-01-3) → 4-(2,5-Dimethoxyphenyl)-4-phenylbutyric acid, N-Methylpiperazinyl Amide Hydrochloride (104688-82-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 85 percent / triethylamine / toluene / Heating

2: 49 percent / neutral silica-gel / diethyl ether / Ambient temperature

With silica gel; triethylamine; In diethyl ether; toluene;

DOI:10.1248/cpb.38.1570

Reference yield:

4,5-dihydro-5-phenyl-2(3H)-furanone (1008-76-0) → 4-(2,5-Dimethoxyphenyl)-4-phenylbutyric acid, N-Methylpiperazinyl Amide Hydrochloride (104688-82-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 30 percent / 75percent PPA / 5 h / Ambient temperature

2: 85 percent / triethylamine / toluene / Heating

3: 49 percent / neutral silica-gel / diethyl ether / Ambient temperature

With silica gel; triethylamine; In diethyl ether; toluene;

DOI:10.1248/cpb.38.1570

upstream raw materials:

diazomethane

4-(2-Hydroxy-5-methoxyphenyl)-4-phenylbutyric Acid, N-Methylpiperazinyl Amide

1-methyl-piperazine

4,5-dihydro-5-phenyl-2(3H)-furanone

Refernces

• 1、 -. "Diaryl butyric acid derivative and pharmaceutical use thereof". . . Retrieved 2008/06/13.