1-(4-(2-Hydroxy-5-methoxyphenyl)-1-oxo-4-phenylbutyl)-4-methylpiperazine

Base Information

• Chemical Name: 1-(4-(2-Hydroxy-5-methoxyphenyl)-1-oxo-4-phenylbutyl)-4-methylpiperazine
• CAS No.: 104688-41-7
• Molecular Formula: C22H28 N2 O3
• Molecular Weight: 368.4693
• DSSTox Substance ID: DTXSID50909130
• Nikkaji Number: J293.229F
• Mol file: 104688-41-7.mol

Synonyms:BRN 4209073;1-(4-(2-Hydroxy-5-methoxyphenyl)-1-oxo-4-phenylbutyl)-4-methylpiperazine;4-(2-Hydroxy-5-methoxyphenyl)-4-phenylbutyric acid, N-methylpiperazinyl amide;Piperazine, 1-(4-(2-hydroxy-5-methoxyphenyl)-1-oxo-4-phenylbutyl)-4-methyl-;104688-41-7;SCHEMBL9692909;DTXSID50909130;4-(2-hydroxy-5-methoxyphenyl)-1-(4-methylpiperazin-1-yl)-4-phenylbutan-1-one;LS-112712;1-[4-(2-Hydroxy-5-methoxyphenyl)-4-phenylbutyryl]-4-methylpiperazine

Chemical Property of 1-(4-(2-Hydroxy-5-methoxyphenyl)-1-oxo-4-phenylbutyl)-4-methylpiperazine

Chemical Property:

• Vapor Pressure: 1.68E-13mmHg at 25°C
• Boiling Point: 567.9°Cat760mmHg
• Flash Point: 297.2°C
• Density: 1.152g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 368.20999276
• Heavy Atom Count: 27
• Complexity: 459

Purity/Quality:

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)O

Technology Process of 1-(4-(2-Hydroxy-5-methoxyphenyl)-1-oxo-4-phenylbutyl)-4-methylpiperazine

There total 3 articles about 1-(4-(2-Hydroxy-5-methoxyphenyl)-1-oxo-4-phenylbutyl)-4-methylpiperazine 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: 85.0%

1-methyl-piperazine (109-01-3) + 7-Methoxy-5-phenyl-2,3,4,5-tetrahydro-1-benzoxazepin-2-one (104688-83-7) → 4-(2-Hydroxy-5-methoxyphenyl)-4-phenylbutyric Acid, N-Methylpiperazinyl Amide (104688-41-7)

Guidance literature:

With triethylamine; In toluene; Heating;

DOI:10.1248/cpb.38.1570

Reference yield:

4,5-dihydro-5-phenyl-2(3H)-furanone (1008-76-0) → 4-(2-Hydroxy-5-methoxyphenyl)-4-phenylbutyric Acid, N-Methylpiperazinyl Amide (104688-41-7)

Guidance literature:

Multi-step reaction with 2 steps

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

2: 85 percent / triethylamine / toluene / Heating

With triethylamine; In toluene;

DOI:10.1248/cpb.38.1570

Reference yield:

4-methoxy-phenol (150-76-5) → 4-(2-Hydroxy-5-methoxyphenyl)-4-phenylbutyric Acid, N-Methylpiperazinyl Amide (104688-41-7)

Guidance literature:

Multi-step reaction with 2 steps

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

2: 85 percent / triethylamine / toluene / Heating

With triethylamine; In toluene;

DOI:10.1248/cpb.38.1570

upstream raw materials:

1-methyl-piperazine

7-Methoxy-5-phenyl-2,3,4,5-tetrahydro-1-benzoxazepin-2-one

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

4-methoxy-phenol

Downstream raw materials:

4-(2,5-Dimethoxyphenyl)-4-phenylbutyric acid, N-Methylpiperazinyl Amide Hydrochloride

4-Methoxy-2-[4-(4-methyl-piperazin-1-yl)-1-phenyl-butyl]-phenol; hydrochloride

4-(2-Acetoxy-5-methoxyphenyl)-4-phenylbutyric acid, N-Methylpiperazinyl Amide

Refernces