ChemicalBook--->CAS DataBase List--->152533-47-6

152533-47-6

152533-47-6 Structure

152533-47-6 Structure
IdentificationBack Directory
[Name]

(1R,4S)-tert-butyl 2-oxo-7-azabicyclo[2.2.1]heptane-7-carboxylate
[CAS]

152533-47-6
[Synonyms]

7-Boc-2-oxo-7-azabicyclo[2.2.1]heptane
tert-Butyl 2-oxo-7-azabicyclo[2.2.1]heptane-7-carboxylate
tert-butyl 3-oxo-7-azabicyclo[2.2.1]heptane-7-carboxylate
tert-butyl (1R,4S)-3-oxo-7-azabicyclo[2.2.1]heptane-7-carboxylate
2-Oxo-7-aza-bicyclo[2.2.1]heptane-7-carboxylic acid tert-butyl ester
7-Azabicyclo[2.2.1]heptane-7-carboxylic acid, 2-oxo-,1,1-dimethylethyl ester
1H-pyrrolo[2,3-b]pyridinebicyclo[2.2.1]heptane-7-carboxylic acid, 2-oxo-,1,1-dimethylethyl ester
[Molecular Formula]

C11H17NO3
[MDL Number]

MFCD18633018
[MOL File]

152533-47-6.mol
[Molecular Weight]

211.26
Chemical PropertiesBack Directory
[Boiling point ]

308.2±25.0 °C(Predicted)
[density ]

1.173±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Room Temperature
[pka]

-1.82±0.20(Predicted)
[InChI]

InChI=1S/C11H17NO3/c1-11(2,3)15-10(14)12-7-4-5-8(12)9(13)6-7/h7-8H,4-6H2,1-3H3
[InChIKey]

XWIJVOQGKJHEAJ-UHFFFAOYSA-N
[SMILES]

C12N(C(OC(C)(C)C)=O)C(CC1)CC2=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P280-P301+P312-P305+P351+P338
[HS Code ]

2933998090
Hazard InformationBack Directory
[Uses]

7-Boc-2-oxo-7-azabicyclo[2.2.1]heptane is used in the preparation of epiboxidine enantiomers and analogs with binding affinity at α4β2 and α7 neuronal nicotinic acetylcholine receptors via resolution and Suzuki cross-coupling reactions.
Spectrum DetailBack Directory
[Spectrum Detail]

(1R,4S)-tert-butyl 2-oxo-7-azabicyclo[2.2.1]heptane-7-carboxylate(152533-47-6)1HNMR
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