3(2H)-Pyridazinone

Base Information

• Chemical Name: 3(2H)-Pyridazinone
• CAS No.: 504-30-3
• Molecular Formula: C4H4N2O
• Molecular Weight: 96.0886
• Hs Code.: 29339900
• European Community (EC) Number: 628-659-5
• NSC Number: 21411
• UNII: UZ5DP4K4YQ
• DSSTox Substance ID: DTXSID90198440
• Nikkaji Number: J100.657F
• Wikidata: Q55867824
• ChEMBL ID: CHEMBL3228881
• Mol file: 504-30-3.mol

Synonyms:3(2H)-Pyridazinone;504-30-3;Pyridazin-3(2H)-one;2H-Pyridazin-3-one;3-Hydroxypyridazine;pyridazin-3-ol;3-Pyridazinol;1H-pyridazin-6-one;Pyridazinone;2,3-dihydropyridazin-3-one;3-Pyridazinone;6-Pyridazinone;MFCD00099605;UZ5DP4K4YQ;NSC-21411;oxypyridazine;2H-pyridazinone;129016-35-9;Pyridazine-3-ol;3-oxidopyridazinium;NSC21411;W3G;3-(2H)-Pyridazinone;Pyridazine, 3-hydroxy-;pyridazin-3 (2h)-one;UNII-UZ5DP4K4YQ;3-oxo-2,3-dihydropyridazine;CHEMBL3228881;DTXSID90198440;BCP04620;CS-D0990;STR06961;MFCD01646051;NSC 21411;ZB1478;AKOS000320163;AKOS005207020;AC-1248;PB32258;PS-9349;SY020182;3(2H)-Pyridazinone, >=97.0% (GC);A7481;AM20100231;FT-0613557;P1850;EN300-53981;A821735;AC-907/30002019;J-513087;Q-102296;F1967-0134;Z803153778

Chemical Property of 3(2H)-Pyridazinone

Chemical Property:

• Melting Point: 98-104 °C
• Boiling Point: 315.9 °C at 760 mmHg
• PKA: 11.47±0.20(Predicted)
• Flash Point: 144.9 °C
• PSA: 45.75000
• Density: 1.28 g/cm³
• LogP: -0.23010
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 96.032362755
• Heavy Atom Count: 7
• Complexity: 137

Purity/Quality:

99% ^*data from raw suppliers

Pyridazin-3(2H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=O)NN=C1
• Uses: Pyridazin-3(2H)-one can be used for anti-inflammatory and analgesic drug discovery.

Technology Process of 3(2H)-Pyridazinone

There total 28 articles about 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: 90.0%

3-Phenyl-7aH-1-oxa-2,3a,4-triaza-indene (178047-61-5) → 2H-Pyridazin-3-one (504-30-3)

Guidance literature:

With air; In benzene; Ambient temperature; Irradiation;

DOI:10.1016/0040-4020(96)00276-1

Reference yield: 88.9%

mucochloric acid (57697-64-0) → 2H-Pyridazin-3-one (504-30-3)

Guidance literature:

mucochloric acid; With tert-butylhydrazine; In water; toluene; at 23 ℃; for 2.8h;

With tetrabutylammomium bromide; titanium(IV) oxide; In water; toluene; at 20 ℃; for 4.6h; Temperature;

Reference yield: 87.0%

N'-acryloyl-N-allyl-4-methylbenzenesulfonohydrazide (1173165-19-9) → 2H-Pyridazin-3-one (504-30-3)

Guidance literature:

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

DOI:10.1039/b904363b

upstream raw materials:

3-oxo-2,3,4,5-tetrahydropyridazine

4,5-dichloro-2H-pyridazin-3-one

4,5-dibromo-3(2H)pyridazinone

6-oxo-1,6-dihydro-pyridazine-4-carboxylic acid

Downstream raw materials:

2-(6-oxopyridazin-1(6H)-yl)acetic acid

2-phenyl-2H-pyridazin-3-one

2-[2-(4-chlorophenyl)-2-oxo-1-phenylethyl]-2H-pyridazin-3-one

cis-2-[2-(3-piperidin-1-ylcyclobutyl)-1,3-benzothiazol-6-yl]pyridazin-3(2H)-one

Refernces

• 1、 Maes, Bert U. W.,Verbeeck, Stefan,Verhelst, Tom,Ekomié, Audrey,Von Wolff, Niklas,Lefèvre, Guillaume,Mitchell, Emily A.,Jutand, Anny. "Oxidative addition of haloheteroarenes to palladium(0): Concerted versus SNAr-type mechanism". . p. 7858 - 7865. Retrieved 2015.
• 2、 -. "PROTEIN KINASE INHIBITORS (VARIANTS), USE THEREOF IN TREATING ONCOLOGICAL DISEASES AND A PHARMACEUTICAL COMPOSITION BASED THEREON". Page/Page column. . Retrieved 2014/07/07.