3-(4-Methanesulfonyl-phenyl)-2-pyridin-3-yl-cyclopent-2-enone

Base Information

Chemical Name:3-(4-Methanesulfonyl-phenyl)-2-pyridin-3-yl-cyclopent-2-enone
CAS No.:190966-40-6
Molecular Formula:C17H15NO3S
Molecular Weight:
Hs Code.:
DSSTox Substance ID:DTXSID20430880
Nikkaji Number:J1.100.701E
Wikidata:Q82244612
Pharos Ligand ID:T66BDQTVL4QQ
ChEMBL ID:CHEMBL24429
Mol file:190966-40-6.mol

Synonyms:3-(4-(methylsulfonyl)phenyl)-2-(3-pyridinyl)-2-cyclopenten-1-one;L 784,506;L 784506;L-784,506;L-784506

Suppliers and Price of 3-(4-Methanesulfonyl-phenyl)-2-pyridin-3-yl-cyclopent-2-enone

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 0 raw suppliers

Chemical Property of 3-(4-Methanesulfonyl-phenyl)-2-pyridin-3-yl-cyclopent-2-enone

Chemical Property:

XLogP3:1.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:313.07726451
Heavy Atom Count:22
Complexity:565

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)CC2)C3=CN=CC=C3

Technology Process of 3-(4-Methanesulfonyl-phenyl)-2-pyridin-3-yl-cyclopent-2-enone

There total 6 articles about 3-(4-Methanesulfonyl-phenyl)-2-pyridin-3-yl-cyclopent-2-enone 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: 73.0%

: 190966-44-0
2-bromo-3-(4-(methylsulfonyl)phenyl)-2-cyclopenten-1-one

: lithium 3-pyridinyltriisopropylboronate

: 190966-40-6
3-(4-(methylsulfonyl)phenyl)-2-(3-pyridinyl)-2-cyclopenten-1-one

Guidance literature:: With tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; triphenylphosphine; In propan-1-ol; water; toluene; for 3h; Heating;
DOI:10.1021/jm980642l

Reference yield:

: 104-95-0
(4-bromophenyl)thioanisole

: 190966-40-6
3-(4-(methylsulfonyl)phenyl)-2-(3-pyridinyl)-2-cyclopenten-1-one

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) n-BuLi / 1.) THF, hexane, -78 deg C, 2 h, 2.) THF, hexane, from -78 deg C to -10 deg C

2: 86 percent / aq. Na₂WO₄*2H₂O, aq. H₂SO₄, Aliquat 336, 30 percent aq. H₂O₂ / ethyl acetate; CH₂Cl₂ / 3 h / 50 °C

3: 73 percent / Ph₃P, Pd₂(dba)3 / toluene; propan-1-ol; H₂O / 3 h / Heating

With sodium tungstate; n-butyllithium; tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; sulfuric acid; dihydrogen peroxide; Aliquat 336; triphenylphosphine; In propan-1-ol; dichloromethane; water; ethyl acetate; toluene;
DOI:10.1021/jm980642l

Reference yield:

: 22627-70-9
3-ethoxycyclopent-2-en-1-one

: 190966-40-6
3-(4-(methylsulfonyl)phenyl)-2-(3-pyridinyl)-2-cyclopenten-1-one

Guidance literature:: Multi-step reaction with 4 steps

1: 91 percent / Br₂, Et₃N / CHCl₃ / 0.5 h

2: 1.) n-BuLi / 1.) THF, hexane, -78 deg C, 2 h, 2.) THF, hexane, from -78 deg C to -10 deg C

3: 86 percent / aq. Na₂WO₄*2H₂O, aq. H₂SO₄, Aliquat 336, 30 percent aq. H₂O₂ / ethyl acetate; CH₂Cl₂ / 3 h / 50 °C

4: 73 percent / Ph₃P, Pd₂(dba)3 / toluene; propan-1-ol; H₂O / 3 h / Heating

With sodium tungstate; n-butyllithium; tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; sulfuric acid; dihydrogen peroxide; bromine; Aliquat 336; triethylamine; triphenylphosphine; In propan-1-ol; dichloromethane; chloroform; water; ethyl acetate; toluene;
DOI:10.1021/jm980642l