ChemicalBook--->CAS DataBase List--->2212021-56-0

2212021-56-0

2212021-56-0 Structure

2212021-56-0 Structure
IdentificationBack Directory
[Name]

(2S)-tert-Butyl 3-cyano-2-methyl-4-oxopiperidine-1-carboxylate
[CAS]

2212021-56-0
[Synonyms]

(2S)-tert-Butyl 3-cyano-2-methyl-4-oxopiperidine-1-carboxylate
[Molecular Formula]

C12H18N2O3
[MDL Number]

MFCD32856687
[MOL File]

2212021-56-0.mol
[Molecular Weight]

238.28
Chemical PropertiesBack Directory
[Boiling point ]

379.3±42.0 °C(Predicted)
[density ]

1.13±0.1 g/cm3(Predicted)
[pka]

-3.66±0.60(Predicted)
[InChI]

InChI=1S/C12H18N2O3/c1-8-9(7-13)10(15)5-6-14(8)11(16)17-12(2,3)4/h8-9H,5-6H2,1-4H3/t8-,9?/m0/s1
[InChIKey]

HWSFSGRTZMJYGQ-IENPIDJESA-N
[SMILES]

N1(C(OC(C)(C)C)=O)CCC(=O)C(C#N)[C@@H]1C
Hazard InformationBack Directory
[Uses]

(2S)-tert-Butyl 3-cyano-2-methyl-4-oxopiperidine-1-carboxylate is used as an organic synthesis or pharmaceutical intermediate component.
[Hazard]

(2S)-tert-Butyl 3-cyano-2-methyl-4-oxopiperidine-1-carboxylate causes skin irritation and serious eye irritation. It is harmful if swallowed. It may cause respiratory irritation.
Spectrum DetailBack Directory
[Spectrum Detail]

(2S)-tert-Butyl 3-cyano-2-methyl-4-oxopiperidine-1-carboxylate(2212021-56-0)1HNMR
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