4-Methylpyridazin-3(2H)-one

Base Information

• Chemical Name: 4-Methylpyridazin-3(2H)-one
• CAS No.: 33471-40-8
• Molecular Formula: C₅H₆N₂O
• Molecular Weight: 110.115
• Hs Code.: 2933990090
• European Community (EC) Number: 959-589-6
• DSSTox Substance ID: DTXSID70464978
• Nikkaji Number: J2.392.386F
• Wikidata: Q72496468
• Mol file: 33471-40-8.mol

Synonyms:33471-40-8;4-Methylpyridazin-3(2H)-one;4-METHYL-3(2H)-PYRIDAZINONE;4-methyl-2H-pyridazin-3-one;3-Hydroxy-4-methylpyridazine;4-methylpyridazin-3-ol;4-Methyl-pyridazin-3-ol;5-methyl-1H-pyridazin-6-one;4-METHYL-2,3-DIHYDROPYRIDAZIN-3-ONE;3(2H)-PYRIDAZINONE, 4-METHYL-;Methylpyridazinon;3-Hydroxy-4-methyl pyridazine;SCHEMBL1488645;SCHEMBL11625932;DTXSID70464978;AMY17836;MFCD00234099;MFCD08460985;AKOS006273638;AKOS015842324;CS-W022223;GS-4549;PB32620;SB20393;AC-24526;SY031250;A5964;FT-0647067;EN300-96587;Q-102295;Z3227035121;4-Methyl-2H-pyridazin-3-one

Chemical Property of 4-Methylpyridazin-3(2H)-one

Chemical Property:

• Refractive Index: 1.576
• PSA: 46.01000
• Density: 1.22 g/cm³
• LogP: 0.49060
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 110.048012819
• Heavy Atom Count: 8
• Complexity: 169

Purity/Quality:

97% ^*data from raw suppliers

4-Methyl-3(2H)-pyridazinone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=NNC1=O
• Uses: 4-Methyl-3(2H)-pyridazinone, is used as a building block for more complex compounds. It is also found within the structure of several pharmaceutical drugs. It can be used for the synthesis of a series of aminopyridazine derivatives of γ-aminobutyric acid acting as selective GABA-A antagonists.

Technology Process of 4-Methylpyridazin-3(2H)-one

There total 9 articles about 4-Methylpyridazin-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: 91.0%

N-allyl-N'-methacryloyl-4-methylbenzenesulfonohydrazide (1173165-20-2) → 4-methylpyridazin-3(2H)-one (33471-40-8)

Guidance literature:

With Hoveyda-Grubbs catalyst second generation; In dichloromethane; at 40 ℃; for 36h; Sealed tube; Inert atmosphere;

DOI:10.1039/b904363b

Reference yield: 77.0%

2,3-dihydro-4-methyl-3-oxopyridazine-6-carboxylic acid (87668-16-4) → 4-methylpyridazin-3(2H)-one (33471-40-8)

Guidance literature:

at 850 ℃;

Reference yield: 48.0%

4-methyl-4,5-dihydro-3(2H)-pyridazinone (105537-87-9) → 4-methylpyridazin-3(2H)-one (33471-40-8)

Guidance literature:

With bromine; In acetic acid; at 50 - 80 ℃; for 2h;

upstream raw materials:

2,3-dihydro-4-methyl-3-oxopyridazine-6-carboxylic acid

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

methyl-2 hydroxy-2 butyne-3 oate d'ethyle

α-methyl-γ-hydroxybutyrolactone

Downstream raw materials:

3-chloro-4-methylpyridazine

3-amino-4-methylpyridazine

1-(4-methylpyridazin-3-yl)hydrazine