4-Chloro-2-methyl-5-(methylamino)pyridazin-3(2H)-one

Base Information

• Chemical Name: 4-Chloro-2-methyl-5-(methylamino)pyridazin-3(2H)-one
• CAS No.: 98796-09-9
• Molecular Formula: C₆H₈ClN₃O
• Molecular Weight: 173.602
• European Community (EC) Number: 819-988-7
• Nikkaji Number: J987.600F
• ChEMBL ID: CHEMBL4093233
• Mol file: 98796-09-9.mol

Synonyms:98796-09-9;4-Chloro-2-methyl-5-(methylamino)pyridazin-3(2H)-one;CHEMBL4093233;4-chloro-2-methyl-5-(methylamino)-2,3-dihydropyridazin-3-one;4-chloro-2-methyl-5-(methylamino)pyridazin-3-one;4-chloranyl-2-methyl-5-(methylamino)pyridazin-3-one;82I;BDBM50234942;MFCD18817262;AKOS027420117;AS-37305;EN300-176246;2-Methyl-4-chloro-5-(methylamino)pyridazine-3(2H)-one;Z1262564607

Chemical Property of 4-Chloro-2-methyl-5-(methylamino)pyridazin-3(2H)-one

Chemical Property:

• Melting Point: 160 - 161 °C (hexane)
• PSA: 46.92000
• LogP: 0.54840
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 173.0355896
• Heavy Atom Count: 11
• Complexity: 246

Purity/Quality:

97% ^*data from raw suppliers

4-Chloro-2-methyl-5-(methylamino)pyridazin-3(2h)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CNC1=C(C(=O)N(N=C1)C)Cl

Technology Process of 4-Chloro-2-methyl-5-(methylamino)pyridazin-3(2H)-one

There total 3 articles about 4-Chloro-2-methyl-5-(methylamino)pyridazin-3(2H)-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: 75.0%

4-chloro-5-(methylamino)-3(2H)-pyridazone (212622-32-7) + methyl iodide (74-88-4) → 4-chloro-2-methyl-5-(methylamino)pyridazin-3(2H)-one (98796-09-9)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 38 - 40 ℃; for 22h;

DOI:10.1002/jhet.5570350407

Reference yield: 70.0%

4,5-dichloro-2-methyl-3(2H)-pyridazinone (933-76-6) + methylamine hydrochloride (593-51-1) → 4-chloro-2-methyl-5-(methylamino)pyridazin-3(2H)-one (98796-09-9)

Guidance literature:

With triethylamine; for 7h; Heating;

DOI:10.1002/jhet.5570350407

Reference yield: 63.0%

4,5-dichloro-2-methyl-3(2H)-pyridazinone (933-76-6) + methylamine (74-89-5) → 4-chloro-2-methyl-5-(methylamino)pyridazin-3(2H)-one (98796-09-9) + 5-Chloro-2-methyl-4-methylaminopyridazin-3(2H)-one (98795-96-1)

Guidance literature:

In ethanol; dimethyl sulfoxide; at 120 ℃; for 1h; Sealed tube; Microwave irradiation;

DOI:10.1021/acs.jmedchem.6b01566

upstream raw materials:

4,5-dichloro-2-methyl-3(2H)-pyridazinone

methylamine

methylamine hydrochloride

4-chloro-5-(methylamino)-3(2H)-pyridazone

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