2-Benzyl-5-(4-chlorophenyl)-6-(4-methylsulfanylphenyl)pyridazin-3-one

Base Information

• Chemical Name: 2-Benzyl-5-(4-chlorophenyl)-6-(4-methylsulfanylphenyl)pyridazin-3-one
• CAS No.: 225666-85-3
• Molecular Formula: C24H19ClN2OS
• Molecular Weight: 418.947
• UNII: WR9SVX36QF
• Nikkaji Number: J2.941.935C
• Mol file: 225666-85-3.mol

Synonyms:2-benzyl-5-(4-chlorophenyl)-6-(4-(methylthio)phenyl)-2H-pyridazin-3-one;K 832;K-832;K832 cpd

Chemical Property of 2-Benzyl-5-(4-chlorophenyl)-6-(4-methylsulfanylphenyl)pyridazin-3-one

Chemical Property:

• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 418.0906621
• Heavy Atom Count: 29
• Complexity: 627

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=CC=C(C=C1)C2=NN(C(=O)C=C2C3=CC=C(C=C3)Cl)CC4=CC=CC=C4
• Recent EU Clinical Trials: A Double-Blind, Randomised, Dose-Ranging Study to Compare K-832 with Placebo in the treatment of Patients with Active Rheumatoid Arthritis

Technology Process of 2-Benzyl-5-(4-chlorophenyl)-6-(4-methylsulfanylphenyl)pyridazin-3-one

There total 1 articles about 2-Benzyl-5-(4-chlorophenyl)-6-(4-methylsulfanylphenyl)pyridazin-3-one 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:

5-(4-chlorophenyl)-6-[4-(methylthio)phenyl]-4,5-dihydro-2H-pyridazin-3-one (225666-30-8) + benzyl bromide (100-39-0) → 2-benzyl-5-(4-chlorophenyl)-6-[4-(methylthio)phenyl]-2H-pyridazin-3-one (225666-85-3)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide;

Reference yield: 88.4%

2-benzyl-5-(4-chlorophenyl)-6-[4-(methylthio)phenyl]-2H-pyridazin-3-one (225666-85-3) → 2-benzyl-5-(4-chlorophenyl)-6-[4-(methylsulfinyl)phenyl]-2H-pyridazin-3-one

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; water; at -20 - 20 ℃;

Reference yield: 88.2%

2-benzyl-5-(4-chlorophenyl)-6-[4-(methylthio)phenyl]-2H-pyridazin-3-one (225666-85-3) → 2-benzyl-5-(4-chlorophenyl)-6-[4-(methylsulfonyl)phenyl]-2H-pyridazin-3-one

Guidance literature:

With sodium periodate; osmium(VIII) oxide; In chloroform; water; acetone; tert-butyl alcohol; at 20 ℃; Cooling with ice;

upstream raw materials:

5-(4-chlorophenyl)-6-[4-(methylthio)phenyl]-4,5-dihydro-2H-pyridazin-3-one

benzyl bromide

Refernces