4-[1-(2,4-Difluorophenethyl)-4-piperidinylsulfonyl]benzonitrile

Base Information

Chemical Name:4-[1-(2,4-Difluorophenethyl)-4-piperidinylsulfonyl]benzonitrile
CAS No.:285994-62-9
Molecular Formula:C20H20F2N2O2S
Molecular Weight:390.454
Hs Code.:
DSSTox Substance ID:DTXSID40432705
Nikkaji Number:J1.718.899B
Pharos Ligand ID:YRJL746DZB7K
ChEMBL ID:CHEMBL150220

Synonyms:CHEMBL150220;285994-62-9;4-[1-(2,4-Difluorophenethyl)-4-piperidinylsulfonyl]benzonitrile;SCHEMBL6586485;DTXSID40432705;BDBM50108711;L019950;4-[[1-(2-(2,4-Difluorophenyl)ethyl)-4-piperidinyl]sulfonyl]benzonitrile;4-[1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-yl]sulfonylbenzonitrile;4-{1-[2-(2,4-Difluoro-phenyl)-ethyl]-piperidine-4-sulfonyl}-benzonitrile

Suppliers and Price of 4-[1-(2,4-Difluorophenethyl)-4-piperidinylsulfonyl]benzonitrile

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-[1-(2,4-Difluorophenethyl)-4-piperidinylsulfonyl]benzonitrile

Chemical Property:

XLogP3:3.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:390.12135538
Heavy Atom Count:27
Complexity:626

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CN(CCC1S(=O)(=O)C2=CC=C(C=C2)C#N)CCC3=C(C=C(C=C3)F)F

Technology Process of 4-[1-(2,4-Difluorophenethyl)-4-piperidinylsulfonyl]benzonitrile

There total 5 articles about 4-[1-(2,4-Difluorophenethyl)-4-piperidinylsulfonyl]benzonitrile 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: 55.0%

: copper(l) cyanide

: 285995-02-0
N-(2,4-difluorophenethyl) 4-(4-bromophenylsulfonyl)piperidine

: 285994-62-9
4-(4-cyanophenylsulphonyl)-1-[2-(2,4-difluorophenyl)ethyl]piperidine

Guidance literature:: In 1-methyl-pyrrolidin-2-one; at 160 ℃; for 16h;
DOI:10.1021/jm011030v

Reference yield:

: 106-53-6
para-bromobenzenethiol

: 285994-62-9
4-(4-cyanophenylsulphonyl)-1-[2-(2,4-difluorophenyl)ethyl]piperidine

Guidance literature:: Multi-step reaction with 5 steps

1: 96 percent / K₂CO₃ / acetonitrile / 18 h / Heating

2: 69 percent / oxone; Al₂O₃ / CHCl₃; H₂O / 18 h / Heating

3: 5 N aq. HCl / methanol / 3 h / Heating

4: K₂CO₃; NaI / acetonitrile / 18 h / Heating

5: 55 percent / 1-methyl-pyrrolidin-2-one / 16 h / 160 °C

With hydrogenchloride; aluminum oxide; Oxone; potassium carbonate; sodium iodide; In 1-methyl-pyrrolidin-2-one; methanol; chloroform; water; acetonitrile;
DOI:10.1021/jm011030v

Reference yield:

: 285995-01-9
4-(4-bromophenylsulfonyl)piperidine

: 285994-62-9
4-(4-cyanophenylsulphonyl)-1-[2-(2,4-difluorophenyl)ethyl]piperidine

Guidance literature:: Multi-step reaction with 2 steps

1: K₂CO₃; NaI / acetonitrile / 18 h / Heating

2: 55 percent / 1-methyl-pyrrolidin-2-one / 16 h / 160 °C

With potassium carbonate; sodium iodide; In 1-methyl-pyrrolidin-2-one; acetonitrile;
DOI:10.1021/jm011030v