4-((4-Chlorobenzyl)thio)-5-(4-morpholinyl)-2-phenyl-3(2H)-pyridazinone

Base Information

• Chemical Name: 4-((4-Chlorobenzyl)thio)-5-(4-morpholinyl)-2-phenyl-3(2H)-pyridazinone
• CAS No.: 5589-89-9
• Molecular Formula: C21H20ClN3O2S
• Molecular Weight: 413.9204
• NSC Number: 66123
• UNII: JK24TIG538
• DSSTox Substance ID: DTXSID60204481
• Wikidata: Q83077910

Synonyms:5589-89-9;4-((4-Chlorobenzyl)thio)-5-(4-morpholinyl)-2-phenyl-3(2H)-pyridazinone;NSC66123;JK24TIG538;NSC-66123;4-((4-Chlorobenzyl)thio)-5-morpholino-2-phenylpyridazin-3(2H)-one;NSC 66123;UNII-JK24TIG538;DTXSID60204481;4-[(4-chlorophenyl)methylsulfanyl]-5-morpholino-2-phenyl-pyridazin-3-one;3(2H)-PYRIDAZINONE, 4-(((4-CHLOROPHENYL)METHYL)THIO)-5-(4-MORPHOLINYL)-2-PHENYL-;3(2H)-PYRIDAZINONE, 4-((P-CHLOROBENZYL)THIO)-5-MORPHOLINO-2-PHENYL-

Chemical Property of 4-((4-Chlorobenzyl)thio)-5-(4-morpholinyl)-2-phenyl-3(2H)-pyridazinone

Chemical Property:

• Vapor Pressure: 6.68E-12mmHg at 25°C
• Boiling Point: 544.2°C at 760 mmHg
• Flash Point: 282.9°C
• Density: 1.33g/cm³
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 413.0964758
• Heavy Atom Count: 28
• Complexity: 607

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1COCCN1C2=C(C(=O)N(N=C2)C3=CC=CC=C3)SCC4=CC=C(C=C4)Cl

Technology Process of 4-((4-Chlorobenzyl)thio)-5-(4-morpholinyl)-2-phenyl-3(2H)-pyridazinone

There total 2 articles about 4-((4-Chlorobenzyl)thio)-5-(4-morpholinyl)-2-phenyl-3(2H)-pyridazinone 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:

4,5-dichloro-1-phenylpyridazin-6-one (1698-53-9) → 4-(4-Chlor-benzylmercapto)-2-phenyl-5-morpholino-3-oxo-2,3-dihydro-pyridazin (5589-89-9)

Guidance literature:

Multi-step reaction with 2 steps

2: NaNH₂

With sodium amide;

Reference yield:

4-Chlor-2-phenyl-5-morpholino-3-oxo-2,3-dihydro-pyridazin (5273-13-2) + (4-chlorophenyl)methanethiol (6258-66-8) → 4-(4-Chlor-benzylmercapto)-2-phenyl-5-morpholino-3-oxo-2,3-dihydro-pyridazin (5589-89-9)

Guidance literature:

With sodium amide;

upstream raw materials:

4-Chlor-2-phenyl-5-morpholino-3-oxo-2,3-dihydro-pyridazin

(4-chlorophenyl)methanethiol

4,5-dichloro-1-phenylpyridazin-6-one

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