4-(4,4-Bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-1-piperazineethanol

Base Information

Chemical Name:4-(4,4-Bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-1-piperazineethanol
CAS No.:143759-66-4
Molecular Formula:C29H34 F2 N2 O S
Molecular Weight:496.665
Hs Code.:
DSSTox Substance ID:DTXSID80932017
Nikkaji Number:J1.766.505G
ChEMBL ID:CHEMBL294838

Synonyms:1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-phenylthiopropyl)piperazine;4-(4,4-Bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-1-piperazineethanol;1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-;143759-66-4;C30H34F2N2OS;CHEMBL294838;SCHEMBL8618083;DTXSID80932017;C30-H34-F2-N2-O-S;LS-112108;1-[4-[4,4-Bis(4-fluorophenyl)butyl]piperazino]-3-(phenylthio)-2-propanol;1-{4-[4,4-Bis(4-fluorophenyl)butyl]piperazin-1-yl}-3-(phenylsulfanyl)propan-2-ol

Suppliers and Price of 4-(4,4-Bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-1-piperazineethanol

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemical Property of 4-(4,4-Bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-1-piperazineethanol

Chemical Property:

Vapor Pressure:1.7E-16mmHg at 25°C
Boiling Point:625.2°Cat760mmHg
Flash Point:331.9°C
Density:1.23g/cm³
XLogP3:6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:11
Exact Mass:496.23599121
Heavy Atom Count:35
Complexity:547

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CN(CCN1CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)CC(CSC4=CC=CC=C4)O

Technology Process of 4-(4,4-Bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-1-piperazineethanol

There total 2 articles about 4-(4,4-Bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-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: 89.0%

: 108-98-5
thiophenol

: 143759-57-3
1-[4,4-bis(4-fluorophenyl)butyl]-4-(2,3-epoxypropyl)piperazine

: 143759-66-4
1-[4,4-bis(4-fluorophenyl)butyl]-4-(2-hydroxy-3-phenylthiopropyl)piperazine

Guidance literature:: With sodium hydroxide; In ethanol;

Reference yield:

: 5631-35-6
1-[4,4-bis(4-fluorophenyl)butyl]piperazine

: 143759-66-4
1-[4,4-bis(4-fluorophenyl)butyl]-4-(2-hydroxy-3-phenylthiopropyl)piperazine

Guidance literature:: Multi-step reaction with 2 steps

1: 62 percent / Bu₄NBr; aq. NaOH / CH₂Cl₂

2: 65 percent / ethanol

With sodium hydroxide; tetrabutylammomium bromide; In ethanol; dichloromethane;
DOI:10.1016/S0960-894X(02)00322-0