6-Methylpyridazin-3(2H)-one

Base Information

• Chemical Name: 6-Methylpyridazin-3(2H)-one
• CAS No.: 13327-27-0
• Molecular Formula: C5H6N2O
• Molecular Weight: 110.115
• Hs Code.: 29339900
• European Community (EC) Number: 236-367-0
• NSC Number: 17180,10841
• DSSTox Substance ID: DTXSID60158036
• Nikkaji Number: J110.393H
• Wikidata: Q72496469
• Mol file: 13327-27-0.mol

Synonyms:6-Methylpyridazin-3(2H)-one;13327-27-0;6-methylpyridazin-3-ol;6-Methyl-3(2H)-pyridazinone;3-methyl-1H-pyridazin-6-one;6-Methyl-2H-pyridazin-3-one;6-Methyl-3-pyridazinone;3(2H)-Pyridazinone, 6-methyl-;3-Hydroxy-6-methylpyridazine;6-methyl-2,3-dihydropyridazin-3-one;EINECS 236-367-0;MFCD00039720;6-METHYLPYRIDAZIN-3-ONE;6Me3OxoPyridaz;NSC17180;3-methyl-6-pyridazone;6-methyl-pyridazone-3;6-Methyl-3-pyridazone;6-Methyl-3-hydroxy-pyridazin;SCHEMBL142036;6-methyl-2h-pyridazine-3-one;DTXSID60158036;CHEBI:195175;BCP22418;NSC10841;NSC 10841;NSC 17180;NSC-10841;NSC-17180;STK897777;STL570709;AKOS000280966;AKOS002663744;AC-8383;CS-W002182;GS-4266;PB21643;SB10162;SY014239;6-Methyl-3(2H)-pyridazinone, AldrichCPR;6-Methyl-2,3-dihydropyridazin-3-onehydrate;AM20080238;FT-0621219;M2344;EN300-66328;4-Methyl-5,6-diaza-2,4-cyclohexadien-1-one;P10046;AC-907/25005370;F1967-1185;F3308-2941;CVG

Chemical Property of 6-Methylpyridazin-3(2H)-one

Chemical Property:

• Appearance/Colour: colorless crystals
• Vapor Pressure: 0.000331mmHg at 25°C
• Melting Point: 143-145 °C
• Refractive Index: 1.576
• Boiling Point: 310.3 °C at 760 mmHg
• PKA: 11.51±0.40(Predicted)
• Flash Point: 141.5 °C
• PSA: 45.75000
• Density: 1.22 g/cm³
• LogP: 0.07830
• Storage Temp.: Room temperature.
• XLogP3: -0.4
• 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:

99% ^*data from raw suppliers

6-?Methyl-?3-?pyridazinone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 22-24/25-37-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NNC(=O)C=C1
• Uses: 6-?Methyl-?3-?pyridazinone is a lignin-based dye used on wool. 6-?Methyl-?3-?pyridazinone is also used as a reactant for the synthesis of C-?(1-?aryl-?cyclohexyl)?-?methylamine derivatives as selective, orally available inhibitors of dipeptidyl peptidase IV, imidazopyridazinone derivatives as PDE7 inhibitors and pyridazinone derivatives with an arylpiperazinylalkyl chain as a potentent, orally active, antinociceptive agent.

Technology Process of 6-Methylpyridazin-3(2H)-one

There total 19 articles about 6-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: 95.0%

6-methylpyridazine-3-boronic acid → 3-hydroxy-6-methylpyridazine (13327-27-0)

Guidance literature:

With hydrazine hydrate; caesium carbonate; In water; at 80 ℃; for 12h;

Reference yield: 86.0%

2-t-butyl-2,3-dihydro-6-methyl-3-oxopyridazine-4-carboxylic acid (83297-16-9) → 6-Methylpyridazin-3(2H)-on (13327-27-0)

Guidance literature:

at 750 ℃; for 1h; under 0.01 - 0.1 Torr;

Reference yield: 76.0%

N'-acryloyl-N-(but-3-en-2-yl)-4-methylbenzenesulfonohydrazide (1173165-23-5) → 6-Methylpyridazin-3(2H)-on (13327-27-0)

Guidance literature:

With Hoveyda-Grubbs catalyst second generation; In dichloromethane; at 40 ℃; for 24h; Sealed tube; Inert atmosphere;

DOI:10.1039/b904363b

upstream raw materials:

3-methyl-4,5-dihydro-6-oxopyridazine

3-chloro-6-methylpyridazine

6-methyl-3-oxo-2,3-dihydro-pyridazine-4-carboxylic acid

4-hydroxy-6-methyl-4,5-dihydro-2H-pyridazin-3-one

Downstream raw materials:

(3-methyl-6-oxo-6H-pyridazin-1-yl)-phenyl-acetic acid ethyl ester

2-benzyl-6-methyl-2,3-dihydropyridazin-3-one

6-oxo-1,6-dihydropyridazine-3-carboxylic acid

6-hydroxy-pyridazine-3-carboxylic acid

Refernces

• 1、 -. "A catalytic oxidation fragrant boron class compound preparing phenol method (by machine translation)". Paragraph 0073; 0123; 0124. . Retrieved 2017/08/08.
• 2、 Banerjee, Abhisek,Patil, Sandip,Pawar, Mahesh Y.,Gullapalli, Srinivas,Gupta, Praveen K.,Gandhi, Maulik N.,Bhateja, Deepak K.,Bajpai, Malini,Sangana, Ramachandra Rao,Gudi, Girish S.,Khairatkar-Joshi, Neelima,Gharat, Laxmikant A.. "Imidazopyridazinones as novel PDE7 inhibitors: SAR and in vivo studies in Parkinson's disease model". supporting information. p. 6286 - 6291. Retrieved 2012/11/07.