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Home > Encyclopedia > 4-CHLORO-5-METHOXYPYRIDAZIN-3(2H)-ONE

4-CHLORO-5-METHOXYPYRIDAZIN-3(2H)-ONE

4-CHLORO-5-METHOXYPYRIDAZIN-3(2H)-ONE structure

4-CHLORO-5-METHOXYPYRIDAZIN-3(2H)-ONE 

structure
  • CAS No:

    63910-43-0

  • Formula:

    C5H5ClN2O2

  • Chemical Name:

    4-CHLORO-5-METHOXYPYRIDAZIN-3(2H)-ONE

  • Synonyms:

    4-CHLORO-5-METHOXYPYRIDAZIN-3(2H)-ONE;AURORA KA-6685;4-Chloro-2,3-dihydro-5-methoxy-3-oxopyridazine;5-chloro-4-methoxy-1H-pyridazin-6-one;4-Chloro-5-methoxy-3(2H)-pyridazinone;4-chloro-5-methoxy-2,3-dihydropyridazin-3-one

  • Categories:

    Pharmaceutical Intermediates  >  Heterocyclic Compound

4-CHLORO-5-METHOXYPYRIDAZIN-3(2H)-ONE Basic Attributes

160.56

160.00400

DTXSID20356117

2933990090

Characteristics

50.7

0.3

1.51 g/cm3

1.59

Safety Information

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362

H315

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

4-CHLORO-5-METHOXYPYRIDAZIN-3(2H)-ONE Use and Manufacturing

Synthesis of 4-chloro-5-methoxypyridazin-3(2HVone (10) 4 10 To a solution of compound 4 (4.1 g, 24.8 mmol) in CHJOH (50 mL) was added CH'ONa (2.6 g, 74.5 mmol). The solution was stirred at 80 °C overnight. The mixture was concentrated under reduced pressure, purified by column chromatography [eiuting with PE to PE/DCM/MeOH (10: 1 : 1)] to give 10 (1.2 g, 30percent) as a white solid. Synthesis of 4-chloro-2-(2-chlorobenzylV5-methoxypyridazin-3(2HVone (11To a suspension of 4, 5-dichloro-2-hydroxypyradizine (5.00 g, 30.3 mmol) in methanol (90 mL) at room temperature, sodium methoxide (30percent in methanol, 32.8 mL, 182 mmol) was added. The mixture was heated to reflux for 2 days then was concentrated to dryness. The residue was dissolved in water and acidified with glacial acetic acid. The white precipitate that formed was collected by filtration, washing with water. The solid was dried under vacuum to give 4-chloro-5-methoxypyridazin-3(2H)-one (29-1, 2.99 g).

Computed Properties

Molecular Weight:160.56
XLogP3:0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:160.0039551
Monoisotopic Mass:160.0039551
Topological Polar Surface Area:50.7
Heavy Atom Count:10
Complexity:222
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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