3-Hydroxy-1-methylpyridazin-6(1H)-one

Base Information

• Chemical Name: 3-Hydroxy-1-methylpyridazin-6(1H)-one
• CAS No.: 5436-01-1
• Molecular Formula: C5H6 N2 O2
• Molecular Weight: 126.115
• Hs Code.: 2933990090
• European Community (EC) Number: 672-816-0
• NSC Number: 21412
• DSSTox Substance ID: DTXSID20202741
• Nikkaji Number: J81.031B
• Wikidata: Q83076057
• Mol file: 5436-01-1.mol

Synonyms:3-Hydroxy-1-methylpyridazin-6(1H)-one;5436-01-1;6-hydroxy-2-methylpyridazin-3(2H)-one;N-Methylmaleic hydrazide;2-methyl-1H-pyridazine-3,6-dione;1-Methyl-3,6-pyridazinedione;N-Methyl-3,6-pyridazinedione;N-Methyl maleic hydrazide;1-methyl-1,2-dihydropyridazine-3,6-dione;NSC21412;1-Methyl-1,2-dihydro-3,6-pyridazinedione;6-hydroxy-2-methyl-2,3-dihydropyridazin-3-one;SCHEMBL936893;3, 1,2-dihydro-1-methyl-;DTXSID20202741;MFCD00234108;NSC 21412;NSC-21412;STK060765;AKOS003259818;AKOS003348414;FS-3810;1-Methylpyridazine-3,6(1H,2H)-dione;6-Hydroxy-2-methyl-2H-pyridazin-3-one;6-Hydroxy-2-methyl-3(2H)-pyridazinone;CS-0319859;FT-0635706;3,6-Pyridazinedione, 1,2-dihydro-1-methyl-;3,6-Pyridazinedione, 1, 2-dihydro-1-methyl-;2,3-dihydro-2-methyl-3-oxo-6-hydroxypyridazin;2,3-dihydro-2-methyl-3-oxo-6-hydroxypyridazine;3-hydroxy-1-methyl-1,6-dihydropyridazin-6-one;AC-907/25004444;3,6-Pyridazinedione, 1,2-dihydro-1-methyl- (8CI)(9CI)

Chemical Property of 3-Hydroxy-1-methylpyridazin-6(1H)-one

Chemical Property:

• Vapor Pressure: 0.00181mmHg at 25°C
• Melting Point: 210-212 °C
• Refractive Index: 1.5090 (estimate)
• Boiling Point: 260.1°Cat760mmHg
• PKA: 9.57±0.20(Predicted)
• Flash Point: 111.1°C
• PSA: 55.12000
• Density: 1.263g/cm³
• LogP: -0.51410
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 126.042927438
• Heavy Atom Count: 9
• Complexity: 185

Purity/Quality:

99% ^*data from raw suppliers

6-Hydroxy-2-methylpyridazin-3(2H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 44-36/37/38-20/21/22
• Safety Statements: 36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=O)C=CC(=O)N1

Technology Process of 3-Hydroxy-1-methylpyridazin-6(1H)-one

There total 5 articles about 3-Hydroxy-1-methylpyridazin-6(1H)-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: 86.0%

maleic anhydride (108-31-6) + methylhydrazine (60-34-4) → 1-methyl-3,6-(1H,2H)-pyridazinedione (5436-01-1)

Guidance literature:

In acetic acid; at 20 ℃; for 1h;

DOI:10.1080/00397910701557531

Reference yield:

maleic anhydride (108-31-6) → 1-methyl-3,6-(1H,2H)-pyridazinedione (5436-01-1)

Guidance literature:

With water; methylhydrazine sulfuric acid;

DOI:10.1002/hlca.19540370325

Reference yield:

Maleic hydrazide (123-33-1) → 1-methyl-3,6-(1H,2H)-pyridazinedione (5436-01-1)

Guidance literature:

With sodium hydroxide; dimethyl sulfate;

DOI:10.1002/hlca.19540370325

upstream raw materials:

maleic anhydride

Maleic hydrazide

methylhydrazine

Downstream raw materials:

6-methoxy-2-methylpyridazin-3(2H)-one

1,2-dimethylpyridazine-3,6(1H,2H)-dione

5,6-dihydro-1,5,6-trimethyl-1H-pyrazolo<3,4-d>pyridazine-4,7-dione

Refernces

Direct heteroarylation of tautomerizable heterocycles into unsymmetrical and symmetrical biheterocycles via Pd/Cu-catalyzed phosphonium coupling

10.1021/ol300455e

The research explores a novel method for synthesizing biheterocyclic compounds. The purpose of this study is to develop a direct and efficient route for the cross-coupling of tautomerizable heterocycles with unfunctionalized heteroarenes, aiming to create a variety of biologically active and functionally important biheterocyclic frameworks. The key chemicals used in this research include tautomerizable heterocycles such as 2-methyl-1H-pyridazine-3,6-dione, heteroarenes like 2-phenyl-1,3,4-oxadiazole, and catalysts such as Pd(OAc)2 and CuI. The methodology involves PyBroP-mediated activation of the heterocycles to form phosphonium salts, followed by Pd/Cu-catalyzed coupling reactions. The study concludes that this approach allows for the facile synthesis of both unsymmetrical and symmetrical biheterocyclic compounds, including diazine-azole and bidiazine units, using readily available substrates. This method provides a significant advancement in the synthesis of biheterocyclic compounds, offering a more direct and efficient route compared to traditional multi-step processes.

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