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617714-22-4

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617714-22-4 Structure

617714-22-4 Structure
IdentificationBack Directory
[Name]

tert-Butyl 5-oxo-2-azabicyclo[2.2.2]octane-2-carboxylate
[CAS]

617714-22-4
[Synonyms]

2-Boc-2-azabicyclo[2.2.2]octan-5-one
2-BOC-5-OXO-2-AZABICYCLO[2.2.2]OCTANE
tert-Butyl 5-oxo-2-azabicyclo[2.2.2]octane-2-carboxylate
TERT-BUTYL 5-0X0-2- AZABICYCL0[2. 2. 2]OCTANE-2— CARBOXYLATE
2-Azabicyclo[2.2.2]octane-2-carboxylic acid, 5-oxo-, 1,1-dim...
5-Oxo-2-aza-bicyclo[2.2.2]octane-2-carboxylic acid tert-butyl ester
2-Azabicyclo[2.2.2]octane-2-carboxylic acid, 5-oxo-, 1,1-dimethylethyl ester
[Molecular Formula]

C12H19NO3
[MDL Number]

MFCD17016701
[MOL File]

617714-22-4.mol
[Molecular Weight]

225.284
Chemical PropertiesBack Directory
[Boiling point ]

325.8±35.0 °C(Predicted)
[density ]

1.139±0.06 g/cm3(Predicted)
[storage temp. ]

Store at 0-8 °C
[pka]

-1.62±0.20(Predicted)
[InChI]

InChI=1S/C12H19NO3/c1-12(2,3)16-11(15)13-7-8-4-5-9(13)6-10(8)14/h8-9H,4-7H2,1-3H3
[InChIKey]

AUKQEIHIPOHGHN-UHFFFAOYSA-N
[SMILES]

C12CCC(C(=O)C1)CN2C(OC(C)(C)C)=O
[CAS DataBase Reference]

617714-22-4
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P280-P301+P312-P302+P352-P305+P351+P338
Hazard InformationBack Directory
[Uses]

tert-Butyl 5-Oxo-2-azabicyclo[2.2.2]octane-2-carboxylate is a useful reactant for design and synthesis of CCR3 antagonists.
Spectrum DetailBack Directory
[Spectrum Detail]

tert-Butyl 5-oxo-2-azabicyclo[2.2.2]octane-2-carboxylate(617714-22-4)1HNMR
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