5-Chloro-4-((1-(5-chloro-2-pyrimidinyl)-4-piperidinyl)oxy)-1-(2-fluoro-4-(methylsulfonyl)phenyl)-2(1H)-pyridinone

Base Information

Chemical Name:5-Chloro-4-((1-(5-chloro-2-pyrimidinyl)-4-piperidinyl)oxy)-1-(2-fluoro-4-(methylsulfonyl)phenyl)-2(1H)-pyridinone
CAS No.:1339944-47-6
Molecular Formula:C₂₁H₁₉Cl₂FN₄O₄S
Molecular Weight:513.377
Hs Code.:
UNII:49731B9ULN
Nikkaji Number:J3.353.523F
Wikidata:Q27259240
Pharos Ligand ID:DAGARURQM956
Metabolomics Workbench ID:152873
ChEMBL ID:CHEMBL3338194

Synonyms:5-chloro-4-((1-(5-chloropyrimidin-2-yl)piperidin-4-yl)oxy)-1-(2-fluoro-4-(methylsulfonyl)phenyl)pyridin-2(1H)-one;BMS-903452

Suppliers and Price of 5-Chloro-4-((1-(5-chloro-2-pyrimidinyl)-4-piperidinyl)oxy)-1-(2-fluoro-4-(methylsulfonyl)phenyl)-2(1H)-pyridinone

Supply Marketing:

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

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Total 1 raw suppliers

Chemical Property of 5-Chloro-4-((1-(5-chloro-2-pyrimidinyl)-4-piperidinyl)oxy)-1-(2-fluoro-4-(methylsulfonyl)phenyl)-2(1H)-pyridinone

Chemical Property:

XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:512.0488098
Heavy Atom Count:33
Complexity:896

Purity/Quality:: 98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CS(=O)(=O)C1=CC(=C(C=C1)N2C=C(C(=CC2=O)OC3CCN(CC3)C4=NC=C(C=N4)Cl)Cl)F
Recent ClinicalTrials:Safety Study of BMS-903452 in Healthy Subjects (Panel 1-7) & Relative Bioavailability of the Crystalline and Amorphous Forms of BMS-903452 [Panels 4, 6, 11 & 12(Part A)], and Subjects With Type 2 Diabetes Mellitus (Part B)

Technology Process of 5-Chloro-4-((1-(5-chloro-2-pyrimidinyl)-4-piperidinyl)oxy)-1-(2-fluoro-4-(methylsulfonyl)phenyl)-2(1H)-pyridinone

There total 7 articles about 5-Chloro-4-((1-(5-chloro-2-pyrimidinyl)-4-piperidinyl)oxy)-1-(2-fluoro-4-(methylsulfonyl)phenyl)-2(1H)-pyridinone 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: 69.5%

: 874676-81-0
5-chloro-2-iodopyrimidine

: 5-chloro-1-(2-fluoro-4-(methylsulfonyl)phenyl)-4-(piperidin-4-yloxy)pyridin-2(1H)-one hydrogen chloride

: 1339944-47-6
BMS₉₀₃₄₅₂

Guidance literature:: With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 60 ℃; for 4h; Inert atmosphere;
DOI:10.1021/jm501175v

Reference yield: 67.0%

: 22536-67-0
2,5-dichloropyrimidine

: 1339944-34-1
5-chloro-1-(2-fluoro-4-(methylsulfonyl)phenyl)-4-(piperidin-4-yloxy)pyridin-2(1H)-one methanesulfonic acid salt

: 1339944-47-6
BMS₉₀₃₄₅₂

Guidance literature:: With N-ethyl-N,N-diisopropylamine; In 1-methyl-pyrrolidin-2-one; at 70 ℃; for 6h;

Reference yield:

: 103766-25-2
5-chloro-4-hydroxy-2(1H)-pyridinone

: 1339944-47-6
BMS₉₀₃₄₅₂

Guidance literature:: Multi-step reaction with 5 steps

1.1: triphenylphosphine / N,N-dimethyl-formamide / 0.67 h

1.2: 0 - 60 °C

2.1: pyridine / 80 °C

3.1: 1-methyl-pyrrolidin-2-one / 12 h / 80 °C / Inert atmosphere

4.1: acetonitrile / 2 h / 50 °C

5.1: N-ethyl-N,N-diisopropylamine / 1-methyl-pyrrolidin-2-one / 6 h / 70 °C

With N-ethyl-N,N-diisopropylamine; triphenylphosphine; In pyridine; 1-methyl-pyrrolidin-2-one; N,N-dimethyl-formamide; acetonitrile;