ChemicalBook--->CAS DataBase List--->123696-01-5

123696-01-5

123696-01-5 Structure

123696-01-5 Structure
IdentificationBack Directory
[Name]

5-METHOXYPYRIDAZIN-3(2H)-ONE
[CAS]

123696-01-5
[Synonyms]

AURORA KA-3645
5-methoxypyridazin-3-ol
-METHOXYPYRIDAZIN-3(2H)-ONE
3-methoxy-3(2H)-pyridazinone
5-METHOXYPYRIDAZIN-3(2H)-ONE
3(2H)-Pyridazinone,5-methoxy-
3-hydroxy-5-Methoxypyridazine
5-Methoxy-2,3-dihydropyridazin-3-one
5-METHOXYPYRIDAZIN-3(2H)-ONE ISO 9001:2015 REACH
5-methoxypyridazin-3-ol 3-hydroxy-5-Methoxypyridazine
[EINECS(EC#)]

200-001-2
[Molecular Formula]

C5H6N2O2
[MDL Number]

MFCD05664509
[MOL File]

123696-01-5.mol
[Molecular Weight]

126.11
Chemical PropertiesBack Directory
[Melting point ]

148-150 °C
[density ]

1.30±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

10.57±0.40(Predicted)
[Appearance]

White to off-white Solid
[InChI]

InChI=1S/C5H6N2O2/c1-9-4-2-5(8)7-6-3-4/h2-3H,1H3,(H,7,8)
[InChIKey]

NRILSJUKEHQBLU-UHFFFAOYSA-N
[SMILES]

C1(=O)NN=CC(OC)=C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H302-H315-H335
[Precautionary statements ]

P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Spectrum DetailBack Directory
[Spectrum Detail]

5-METHOXYPYRIDAZIN-3(2H)-ONE(123696-01-5)1HNMR
Hazard InformationBack Directory
[Synthesis]

3(2H)-Pyridazinone, 4-chloro-5-methoxy-2-[(phenylmethoxy)methyl]-

938045-16-0

5-METHOXYPYRIDAZIN-3(2H)-ONE

123696-01-5

General procedure for the synthesis of 5-methoxypyridazin-3(2H)-one from the compound (CAS: 938045-16-0): a mixture of 10% palladium/carbon (100 mg), 2-((benzyloxy)methyl)-4-chloro-5-methoxypyridazin-3(2H)-one (1.34 g), and acetic acid (10 mL) was subjected to a hydrogen atmosphere (0.8 MPa) with the addition of methanol (30 mL) and the reaction was stirred at 50 °C for 10 hours. After completion of the reaction, the insoluble material was removed by filtration and the solvent was removed by distillation under reduced pressure to afford the target product 5-methoxypyridazin-3(2H)-one (611 mg). Mass spectrometry analysis showed m/z (M + H): 127.

[References]

[1] Patent: US2015/322063, 2015, A1. Location in patent: Paragraph 2479; 2480; 2481
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