tert-Butyl 4-(3-oxobutanoyl)piperidine-1-carboxylate
Basic information
- CAS
419571-68-9- Standard SMILES
CC(=O)CC(=O)C1CCN(C(=O)OC(C)(C)C)CC1- InChIKey
AKTJBXNKJJLHFG-UHFFFAOYSA-N- Molecular formula
- C14H23NO4
- Average molar mass
- 269.34 g/mol
- Monoisotopic mass
- 269.16270821
Names & identifiers
- Preferred name
- tert-Butyl 4-(3-oxobutanoyl)piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-(3-oxobutanoyl)piperidine-1-carboxylate
- English name
- tert-butyl 4-(3-oxobutanoyl)piperidine-1-carboxylate
- Molecular formula
- C14H23NO4
- Molecular weight
- 269.34
Names & synonyms
419571-68-9TERT-BUTYL 4-(3-OXOBUTANOYL)PIPERIDINE-1-CARBOXYLATEDTXSID70619986RefChem:383493DTXCID70570740MFCD119758711-Piperidinecarboxylic acid, 4-(1,3-dioxobutyl)-, 1,1-dimethylethyl ester4-(3-Oxo-butyryl)-piperidine-1-carboxylic acid tert-butyl ester1-Boc-4-(3-oxobutanoyl)piperidinet-butyl 4-(3-oxobutanoyl)piperidine-1-carboxylatestarbld0017195SCHEMBL4239798
Show more names
1-Boc-4-(1,3-dioxobutyl)-piperidinetert-butyl 4-(1,3-dioxobutyl)piperidine-1-carboxylate1,1-dimethylethyl 4-(1,3-dioxobutyl)piperidinecarboxylatetert-butyl 4-(3-oxobutanoyl)piperidine-1-carboxylate - [B23623]
AKTJBXNKJJLHFG-UHFFFAOYSA-NAKOS015897757PB42792NS-04314SY321628DB-070238CS-0183427P19673
Database identifiers
- CAS
419571-68-9- PubChem CID
- 21912749
- DTXSID
DTXSID70619986- Nikkaji
- J2.282.156C
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 362
Physicochemical properties
- Boiling point
- 374.5 · 374.5±32.0 °C(Predicted)
- Density
- 1.094 · 1.094±0.06 g/cm3(Predicted)
- pka
- 9.37 · 9.37±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Usestert-butyl 4-(3-oxobutanoyl)piperidine-1-carboxylate is a useful reagent in the regioselective synthesis of (alkylpyrazolyl)piperidines.
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Related reactions
3 records
Compound notes
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