(S)-1-tert-butyl 2-ethyl 5-oxopiperidine-1,2-dicarboxylate
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Basic information
- CAS
1260587-51-6- Standard SMILES
CCOC(=O)[C@@H]1CCC(=O)CN1C(=O)OC(C)(C)C- InChIKey
RMDHGBVAOBPLIY-JTQLQIEISA-N- Molecular formula
- C13H21NO5
- Average molar mass
- 271.31 g/mol
- Monoisotopic mass
- 271.14197277
Names & identifiers
- Preferred name
- (S)-1-tert-butyl 2-ethyl 5-oxopiperidine-1,2-dicarboxylate
- IUPAC
- 1-O-tert-butyl 2-O-ethyl (2S)-5-oxopiperidine-1,2-dicarboxylate
- English name
- (S)-1-tert-butyl 2-ethyl 5-oxopiperidine-1,2-dicarboxylate
- Molecular formula
- C13H21NO5
- Molecular weight
- 271.31
Names & synonyms
1260587-51-6(S)-1-tert-butyl 2-ethyl 5-oxopiperidine-1,2-dicarboxylateMFCD12756126(2S)-1-N-Boc-5-oxo-piperidine-2-carboxylic acid ethyl ester1-tert-Butyl 2-ethyl (2S)-5-oxopiperidine-1,2-dicarboxylateSCHEMBL152880101-O-tert-butyl 2-O-ethyl (2S)-5-oxopiperidine-1,2-dicarboxylate1,2-Piperidinedicarboxylic acid, 5-oxo-, 1-(1,1-dimethylethyl) 2-ethyl ester, (2S)-(S)-1-tert-Butyl2-ethyl5-oxopiperidine-1,2-dicarboxylate1-(tert-butyl) 2-ethyl (S)-5-oxopiperidine-1,2-dicarboxylate(5)-1-tert-butyl 2-ethyl 5-oxopiperidine-1,2-dicarboxylateRMDHGBVAOBPLIY-JTQLQIEISA-N
Show more names
1-tert-butyl 2-ethyl 5-oxopiperidine-1,2-dicarboxylate1-tert-butyl 2-Methyl 5-oxopiperidine-1,2-dicarboxylate1-(1,1-Dimethylethyl) 2-ethyl (2S)-5-oxo-1,2-piperidinedicarboxylate(2S)-5-Oxo-1,2-piperidinedicarboxylic acid 1-(tert-butyl) 2-ethyl ester
(S)-1-tert-butyl 2-ethylDTXSID50743935AKOS016007546CS-W001374AS-73994SY312476Ethyl (2S)-1-boc-5-oxopiperidine-2-carboxylateEthyl (S)-1-Boc-5-oxopiperidine-2-carboxylate
Database identifiers
- CAS
1260587-51-6- PubChem CID
- 70701166
- DTXSID
DTXSID50743935
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 372
Physicochemical properties
- Boiling point
- 364.6 · 364.6±42.0 °C(Predicted)
- Density
- 1.152 · 1.152
- storage temp.
- 2 · 2-8°C
- pka
- -3.59 · -3.59±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Suppliers
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Related reactions
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Compound notes
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