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561314-57-6

561314-57-6 Structure

561314-57-6 Structure
IdentificationBack Directory
[Name]

2,8-DIAZASPIRO[4.5]DECAN-3-ONE
[CAS]

561314-57-6
[Synonyms]

2,8-Diazaspiro[4.5]decan-...
2,8-DIAZASPIRO[4.5]DECAN-3-ONE
3,8-Diazaspiro[4.5]decan-2-one HCl
2,8-Diazaspiro[4.5]decan-3-one 95+%
2,8-diazaspiro[4.5]decan-3-one(SALTDATA: 2HCl)
[Molecular Formula]

C8H14N2O
[MDL Number]

MFCD11044206
[MOL File]

561314-57-6.mol
[Molecular Weight]

154.21
Chemical PropertiesBack Directory
[Boiling point ]

360.1±42.0 °C(Predicted)
[density ]

1.12±0.1 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,2-8°C
[pka]

16.29±0.20(Predicted)
[Appearance]

White to off-white Solid
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H332-H315-H319-H335
[Precautionary statements ]

P271-P260-P280
[Risk Statements ]

20/21/22-36/37/38
[Safety Statements ]

26-36
[HS Code ]

29339900
Hazard InformationBack Directory
[Chemical Properties]

White powder
[Synthesis]

TERT-BUTYL 3-OXO-2,8-DIAZASPIRO[4.5]DECANE-8-CARBOXYLATE

169206-67-1

2,8-DIAZASPIRO[4.5]DECAN-3-ONE

561314-57-6

Tert-butyl 3-oxo-2,8-diazaspiro[4,5]decane-8-carboxylate (920 mg, 3.62 mmol) was used as a raw material and dissolved in a solvent mixture (5 mL / 5 mL) of dichloromethane (DCM) and trifluoroacetic acid (TFA). The reaction mixture was stirred at 30 °C for 12 hours. The progress of the reaction was monitored by thin layer chromatography (TLC, unfolding agent ratio of petroleum ether: ethyl acetate = 1:1) to confirm that the reaction was complete. After completion of the reaction, the mixture was concentrated under reduced pressure to give the crude product. The crude product was dissolved in water (30 mL) and the pH was adjusted to 10 with 1N sodium hydroxide solution. subsequently, extraction was performed with dichloromethane (15 mL x 4). The organic layers were combined, dried with anhydrous sodium sulfate and concentrated under reduced pressure to afford the target compound 2,8-diazaspiro[4.5]decan-3-one (550 mg, 98% yield) as a yellow oil.

[References]

[1] Bioorganic and Medicinal Chemistry Letters, 2014, vol. 24, # 10, p. 2288 - 2294
[2] Patent: CN105330698, 2016, A. Location in patent: Paragraph 0232; 0233; 0234; 0235
Spectrum DetailBack Directory
[Spectrum Detail]

2,8-DIAZASPIRO[4.5]DECAN-3-ONE(561314-57-6)1HNMR
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