1-[2-[bis(4-Fluorophenyl)methoxy]ethyl]-4-(pyridinyl)-piperazine

Base Information

• Chemical Name: 1-[2-[bis(4-Fluorophenyl)methoxy]ethyl]-4-(pyridinyl)-piperazine
• CAS No.: 154558-38-0
• Molecular Formula: C24H25 F2 N3 O
• Molecular Weight: 409.479
• ChEMBL ID: CHEMBL4082902
• DSSTox Substance ID: DTXSID40406744
• Pharos Ligand ID: D4K8RLQ553MJ
• Wikidata: Q82211834
• Mol file: 154558-38-0.mol

Synonyms:154558-38-0;1-[2-[bis(4-Fluorophenyl)methoxy]ethyl]-4-(pyridinyl)-piperazine;1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-pyridin-2-ylpiperazine;CHEMBL4082902;Piperazine,1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2-pyridinyl)-;SCHEMBL7951441;DTXSID40406744;BDBM50235723;AKOS003588670;AC-11980;L010358;J-009114

Chemical Property of 1-[2-[bis(4-Fluorophenyl)methoxy]ethyl]-4-(pyridinyl)-piperazine

Chemical Property:

• Vapor Pressure: 9.3E-11mmHg at 25°C
• Refractive Index: 1.578
• Boiling Point: 516.1°Cat760mmHg
• PKA: 8.43±0.19(Predicted)
• Flash Point: 265.9°C
• PSA: 28.60000
• Density: 1.206g/cm³
• LogP: 4.29090
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 409.19656875
• Heavy Atom Count: 30
• Complexity: 465

Purity/Quality:

1-[2-[BIS(4-FLUOROPHENYL)METHOXY]ETHYL]-4-(PYRIDINYL)-PIPERAZINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1CCOC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C4=CC=CC=N4

Technology Process of 1-[2-[bis(4-Fluorophenyl)methoxy]ethyl]-4-(pyridinyl)-piperazine

There total 3 articles about 1-[2-[bis(4-Fluorophenyl)methoxy]ethyl]-4-(pyridinyl)-piperazine 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: 28.0%

2-[bis(4-fluorophenyl)methoxy]ethyl chloride (50366-31-9) + 1-(pyridin-2-yl)-piperazine hydrochloride (52266-53-2,129394-11-2) → 1-(2-(bis(4-flurophenyl)methoxy)ethyl)-4-(pyridine-2-yl)piperazine (154558-38-0)

Guidance literature:

With triethylamine; In dimethyl sulfoxide; at 100 ℃;

DOI:10.1016/j.bmc.2017.02.051

Reference yield: 28.0%

→ 1-(2-(bis(4-flurophenyl)methoxy)ethyl)-4-(pyridine-2-yl)piperazine (154558-38-0)

Guidance literature:

With triethylamine; In dimethyl sulfoxide; at 100 ℃;

Reference yield:

4,4'-difluorobenzhydryl alcohol (365-24-2) → 1-(2-(bis(4-flurophenyl)methoxy)ethyl)-4-(pyridine-2-yl)piperazine (154558-38-0)

Guidance literature:

Multi-step reaction with 2 steps

1: phosphoric acid / toluene / 20 °C

2: triethylamine / dimethyl sulfoxide / 100 °C

With phosphoric acid; triethylamine; In dimethyl sulfoxide; toluene;

DOI:10.1016/j.bmc.2017.02.051

upstream raw materials:

2-[bis(4-fluorophenyl)methoxy]ethyl chloride

1-(pyridin-2-yl)-piperazine hydrochloride

4,4'-difluorobenzhydryl alcohol

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