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Home > Encyclopedia > Ethanone, 1-(4-pyridazinyl)- (9CI)

Ethanone, 1-(4-pyridazinyl)- (9CI)

Ethanone, 1-(4-pyridazinyl)- (9CI) structure

Ethanone, 1-(4-pyridazinyl)- (9CI) 

structure
  • CAS No:

    50901-46-7

  • Formula:

    C6H6N2O

  • Chemical Name:

    Ethanone, 1-(4-pyridazinyl)- (9CI)

  • Synonyms:

    1-(Pyridazin-4-yl)ethanone;Ethanone, 1-(4-pyridazinyl)-;4-Acetylpyridazine;Methyl 4-pyridazinyl ketone;1-(pyridazin-4-yl)ethan-1-one;1-(Pyridazin-4-yl);Ethanone, 1-(4-pyridazinyl)- (9CI)

  • Categories:

    Chemical Reagents  >  Organic Reagents

Ethanone, 1-(4-pyridazinyl)- (9CI) Basic Attributes

122.12464

122.048012

DTXSID90560466

2933990090

Characteristics

42.8

-0.5

Solid

1.1±0.1 g/cm3

69-70℃

285.8°C at 760 mmHg

131.0±26.3 °C

1.516

Safety Information

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

H315

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Ethanone, 1-(4-pyridazinyl)- (9CI) Use and Manufacturing

To N-methoxy-N-methylpyridazine-4-carboxamide (1.13 g, 6.76 mmol) in tetrahydrofuran (22 mL) , methylmagnesium bromide (10.1 mL, 10.1 mmol, IM in diethyl ether) was added dropwise at 0°C in a nitrogen stream, and the resulting solution was stirred for 1 hour. After completion of the reaction, the reaction solution was mixed with saturated aqueous sodium chloride and To N-methoxy-N-methylpyridazine-4-carboxamide (1.13 g, 6.76 mmol) in tetrahydrofuran (22 mL) , methylmagnesium bromide (10.1 mL, 10.1 mmol, IM in diethyl ether) was added dropwise at 0°C in a nitrogen stream, and the resulting solution was stirred for 1 hour. After completion of the reaction, the reaction solution was mixed with saturated aqueous sodium chloride and To a mixture of ethyl 2, 2, 2-trifluoroacetate (0.256 g) and sodium methoxide (25% by wt in methanol, 0.449 mL) in tert- butyl methyl ether (0.409 mL) was added a suspension of To To a solution of A magnetic stirrer is added to the 250ml single-mouth eggplant bottle.Then add 1.85 g of p-bromobenzaldehyde, 1.44 g of 1-(pyridazin-4-yl)-ethanone, and 40 ml of ethanol.After stirring to completely dissolve, NaOH 0.40 g and 30 ml of concentrated ammonia water were added, and the mixture was stirred at room temperature for 6 hours, and then filtered under reduced pressure.The filter cake was washed successively with ethanol and deionized water, and dried in vacuo to give Intermediate 3 as a white solid, yield 1.75 g, yield 44.1%.The product was not further purified and the next reaction was carried out directly.

Computed Properties

Molecular Weight:122.12
XLogP3:-0.5
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:122.048012819
Monoisotopic Mass:122.048012819
Topological Polar Surface Area:42.8
Heavy Atom Count:9
Complexity:114
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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