5-Methoxypyridazin-3(2H)-one

Base Information

• Chemical Name: 5-Methoxypyridazin-3(2H)-one
• CAS No.: 123696-01-5
• Molecular Formula: C5H6N2O2
• Molecular Weight: 126.115
• Hs Code.: 2933990090
• European Community (EC) Number: 822-643-3
• DSSTox Substance ID: DTXSID70356228
• Wikidata: Q82135470
• Mol file: 123696-01-5.mol

Synonyms:5-METHOXYPYRIDAZIN-3(2H)-ONE;123696-01-5;4-methoxy-1H-pyridazin-6-one;3(2H)-Pyridazinone, 5-methoxy-;3-hydroxy-5-methoxypyridazine;5-methoxy-2H-pyridazin-3-one;5-methoxy-3(2H)-pyridazinone;3(2H)-Pyridazinone,5-methoxy-;5-METHOXY-2,3-DIHYDROPYRIDAZIN-3-ONE;SCHEMBL1008617;SCHEMBL8740138;DTXSID70356228;NRILSJUKEHQBLU-UHFFFAOYSA-N;AMY25001;BCP20543;MFCD05664509;AKOS006295466;AB22384;CS-W022405;2-Bromo-5-methyl-benzenesulfonylchloride;DS-15130;FT-0734390;EN300-220246;AP-786/40231833;J-517708

Chemical Property of 5-Methoxypyridazin-3(2H)-one

Chemical Property:

• Melting Point: 148-150 °C
• Boiling Point: 363 °C at 760 mmHg
• PKA: 10.57±0.40(Predicted)
• Flash Point: 173.3 °C
• PSA: 54.98000
• Density: 1.3 g/cm³
• LogP: -0.22150
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 126.042927438
• Heavy Atom Count: 9
• Complexity: 183

Purity/Quality:

98%,99%, ^*data from raw suppliers

5-METHOXYPYRIDAZIN-3(2H)-ONE 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=O)NN=C1

Technology Process of 5-Methoxypyridazin-3(2H)-one

There total 5 articles about 5-Methoxypyridazin-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: 85.0%

4-chloro-5-methoxypyridazin-3-(2H)-one (63910-43-0) → 3-methoxy-3(2H)-pyridazinone (123696-01-5)

Guidance literature:

With sodium hydroxide; hydrogen; palladium on activated charcoal; In water; for 19h;

DOI:10.1007/BF00811746

Reference yield: 65.0%

5-methoxy-2-(tetrahydro-2H-pyran-2-yl)-3(2H)-pyridazinone (173206-14-9) → 3-methoxy-3(2H)-pyridazinone (123696-01-5)

Guidance literature:

With hydrogenchloride; In methanol; for 2h; Heating;

DOI:10.1002/jhet.5570320510

Reference yield:

2-((benzyloxy)methyl)-4-chloro-5-methoxypyridazin-3(2H)-one (938045-16-0) → 3-methoxy-3(2H)-pyridazinone (123696-01-5)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 50 ℃; for 10h; under 6000.6 Torr;

upstream raw materials:

4-chloro-5-methoxypyridazin-3-(2H)-one

5-methoxy-2-(tetrahydro-2H-pyran-2-yl)-3(2H)-pyridazinone

4-chloro-5-methoxy-2-(tetrahydro-2H-pyran-2-yl)-3(2H)-pyridazinone

2-((benzyloxy)methyl)-4-chloro-5-methoxypyridazin-3(2H)-one

Downstream raw materials:

3,5-dimethoxypyridazine

4-methoxypyridazine

3-chloro-5-methoxy-pyridazine

5-hydroxy-3(2H)-pyridazinone

Refernces

• 1、 Wagner, Ulrike Gabriella,Kratky, Christoph,Kappe, Thomas. "Pyridazines with Heteroatom Substituents in Position 3 and 5, Part 1: 5-Hydroxy-3(2H)-pyridazinone and Its Derivatives". . p. 329 - 342. Retrieved 1989.
• 2、 -. "NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF". Paragraph 2479; 2480; 2481. . Retrieved 2015/11/30.