3-(2-Phenyl-2-(piperazin-1-yl)ethyl)phenol

Base Information

• Chemical Name: 3-(2-Phenyl-2-(piperazin-1-yl)ethyl)phenol
• CAS No.: 61311-64-6
• Molecular Formula: C18H22N2O
• Molecular Weight: 282.385
• ChEMBL ID: CHEMBL210026
• DSSTox Substance ID: DTXSID30552209
• Nikkaji Number: J1.232.013B
• Pharos Ligand ID: 4AB6FFNFKR54

Synonyms:3-(2-phenyl-2-(piperazin-1-yl)ethyl)phenol;CHEMBL210026;3-[2-Phenyl-2-(piperazin-1-yl)ethyl]phenol;61311-64-6;SCHEMBL8531930;DTXSID30552209;VPNYIGJUQBPBMU-UHFFFAOYSA-N;BDBM50188056;PD180835;N-[2-(3-hydroxyphenyl)-1-phenylethyl]piperazine

Chemical Property of 3-(2-Phenyl-2-(piperazin-1-yl)ethyl)phenol

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 282.173213330
• Heavy Atom Count: 21
• Complexity: 298

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)C(CC2=CC(=CC=C2)O)C3=CC=CC=C3

Technology Process of 3-(2-Phenyl-2-(piperazin-1-yl)ethyl)phenol

There total 2 articles about 3-(2-Phenyl-2-(piperazin-1-yl)ethyl)phenol 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:

(+/-)-1-benzyl-4-<2-(3-methoxyphenyl)-1-phenylethyl>piperazine dihydrochloride (61311-75-9) → (+/-)-N-<2-(3-hydroxyphenyl)-1-phenylethyl>piperazine (61311-64-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 70 percent / H₂, AcOH / 5percent Pd/C

2: 47percent aq. HBr, AcOH / 0.5 h / Heating

With hydrogen bromide; hydrogen; acetic acid; palladium on activated charcoal;

DOI:10.1021/jm00393a017

Reference yield:

(+/-)-N-<2-(3-methoxyphenyl)-1-phenylethyl>piperazine dihydrochloride (61311-63-5) → (+/-)-N-<2-(3-hydroxyphenyl)-1-phenylethyl>piperazine (61311-64-6)

Guidance literature:

With hydrogen bromide; acetic acid; for 0.5h; Heating;

DOI:10.1021/jm00393a017

Reference yield: 89.0%

3,3-Dimethylacryloyl chloride (3350-78-5) + (+/-)-N-<2-(3-hydroxyphenyl)-1-phenylethyl>piperazine (61311-64-6) → (-)-1-(3-methylcrotonyl)-4-<2-(3-hydroxyphenyl)-1-phenylethyl>piperazine (61311-66-8)

Guidance literature:

With potassium carbonate; In methanol; water; for 1h; Ambient temperature;

DOI:10.1021/jm00393a017

upstream raw materials:

(+/-)-N-<2-(3-methoxyphenyl)-1-phenylethyl>piperazine dihydrochloride

(+/-)-1-benzyl-4-<2-(3-methoxyphenyl)-1-phenylethyl>piperazine dihydrochloride

Downstream raw materials:

Cyclopropyl-{4-[2-(3-hydroxy-phenyl)-1-phenyl-ethyl]-piperazin-1-yl}-methanone

(-)-1-(3-methylcrotonyl)-4-<2-(3-hydroxyphenyl)-1-phenylethyl>piperazine

3-[2-(4-Cyclobutylmethyl-piperazin-1-yl)-2-phenyl-ethyl]-phenol

(-)-1-(3-methyl-2-butenyl)-4-<2-(3-hydroxyphenyl)-1-phenylethyl>piperazine

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