alpha-(p-Fluorophenoxymethyl)-4-phenyl-1-piperazineethanol

Base Information

• Chemical Name: alpha-(p-Fluorophenoxymethyl)-4-phenyl-1-piperazineethanol
• CAS No.: 66307-49-1
• Molecular Formula: C19H23FN2O2
• Molecular Weight: 330.3965
• DSSTox Substance ID: DTXSID00984871
• Nikkaji Number: J117.859H

Synonyms:66307-49-1;alpha-(p-Fluorophenoxymethyl)-4-phenyl-1-piperazineethanol;1-(4-fluorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;1-Piperazineethanol, alpha-(p-fluorophenoxymethyl)-4-phenyl-;alpha-[(4-Fluorophenoxy)methyl]-4-phenyl-1-piperazineethanol;DTXSID00984871;AKOS016287304;LS-112383;Z31370951;1-Piperazineethanol, .alpha.-[(4-fluorophenoxy)methyl]-4-phenyl-

Chemical Property of alpha-(p-Fluorophenoxymethyl)-4-phenyl-1-piperazineethanol

Chemical Property:

• Vapor Pressure: 7.59E-11mmHg at 25°C
• Melting Point: 139 °C
• Boiling Point: 500.7°Cat760mmHg
• PKA: 15.02±0.20(Predicted)
• Flash Point: 256.6°C
• PSA: 35.94000
• Density: 1.191g/cm³
• LogP: 2.39050
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 330.17435614
• Heavy Atom Count: 24
• Complexity: 349

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1CC(COC2=CC=C(C=C2)F)O)C3=CC=CC=C3

Technology Process of alpha-(p-Fluorophenoxymethyl)-4-phenyl-1-piperazineethanol

There total 3 articles about alpha-(p-Fluorophenoxymethyl)-4-phenyl-1-piperazineethanol 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: 54.2%

4-phenyl-1-piperazine (92-54-6) + 2-(4-fluorophenoxymethyl)oxirane (18123-82-5,104605-97-2,104605-98-3,108648-25-5) → 1-(2-hydroxy-3-phenylpiperazinopropoxy)-4-fluorobenzene (66307-49-1)

Guidance literature:

In methanol; for 4h; Heating;

DOI:10.1248/cpb.43.1045

Reference yield:

4-Fluorophenol (371-41-5) → 1-(2-hydroxy-3-phenylpiperazinopropoxy)-4-fluorobenzene (66307-49-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: (CF₃)3COH / chiral polymer-supported Co(salen) complex / 6 h / 4 - 25 °C

1.2: KOH / diethyl ether / 3 h / 25 °C

2.1: Yb(OTf)3 / CH₂Cl₂ / 16 h / 25 °C

With 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol; ytterbium(III) triflate; chiral polymer-supported Co(salen) complex; In dichloromethane;

DOI:10.1021/ol990920q

Reference yield:

4-phenyl-1-piperazine (92-54-6) + (2S)-2-[(4-fluorophenoxy)methyl]oxirane (104605-98-3) → 1-(2-hydroxy-3-phenylpiperazinopropoxy)-4-fluorobenzene (66307-49-1)

Guidance literature:

With ytterbium(III) triflate; In dichloromethane; at 25 ℃; for 16h;

DOI:10.1021/ol990920q

upstream raw materials:

4-phenyl-1-piperazine

2-(4-fluorophenoxymethyl)oxirane

(2S)-2-[(4-fluorophenoxy)methyl]oxirane

4-Fluorophenol

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