rac-(2R,4S)-1-[(tert-butoxy)carbonyl]-4-methylpiperidine-2-carboxylic acid
Basic information
- CAS
187752-72-3- Standard SMILES
C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)O)C1- InChIKey
LTNNUMKAWAGPIS-DTWKUNHWSA-N- Molecular formula
- C12H21NO4
- Average molar mass
- 243.3 g/mol
- Monoisotopic mass
- 243.14705815
Names & identifiers
- Preferred name
- rac-(2R,4S)-1-[(tert-butoxy)carbonyl]-4-methylpiperidine-2-carboxylic acid
- IUPAC
- (2S,4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
- English name
- cis-1-(tert-Butoxycarbonyl)-4-methylpiperidine-2-carboxylic acid
- Molecular formula
- C12H21NO4
- Molecular weight
- 243.3
Names & synonyms
187752-72-3rac-(2R,4S)-1-[(tert-butoxy)carbonyl]-4-methylpiperidine-2-carboxylic acidrac-(2R,4S)-1-((tert-butoxy)carbonyl)-4-methylpiperidine-2-carboxylic acidRefChem:873621973-530-1cis-1-(tert-Butoxycarbonyl)-4-methylpiperidine-2-carboxylic acid1821781-02-5MFCD22372713(2S,4R)-N-Boc-4-methyl-pipecolinic acid(2S,4R)-1-tert-butoxycarbonyl-4-methyl-piperidine-2-carboxylic acidcis-1-[(tert-butoxy)carbonyl]-4-methylpiperidine-2-carboxylic acid(2S,4R)-1-(TERT-BUTOXYCARBONYL)-4-METHYLPIPERIDINE-2-CARBOXYLIC ACID
Show more names
1,2-Piperidinedicarboxylic acid, 4-methyl-, 1-(1,1-dimethylethyl) ester, (2R,4S)-rel-
(2S,4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic Acid(2R,4S)-rel-4-Methyl-1,2-piperidinedicarboxylic Acid 1-(1,1-Dimethylethyl) Estercis-4-Methylpiperidine-2-carboxylic acid, N-BOC protected(2S,4R)-1-[(tert-butoxy)carbonyl]-4-methylpiperidine-2-carboxylic acidCS-0340901H56096EN300-7157581(2S,4R)-1-N-BOC-4-METHYL PIPERIDINE-2-CARBOXYLIC ACID
Database identifiers
- CAS
187752-72-3- PubChem CID
- 11207263
- EC Number
- 973-530-1
- Nikkaji
- J1.483.229G
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 308
Physicochemical properties
- Boiling point
- 359.5 · 359.5±35.0 °C(Predicted)
- Density
- 1.121 · 1.121±0.06 g/cm3(Predicted)
- pka
- 4.04 · 4.04±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 · P280-P261
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P261
Chemistry & industry
Applications
Uses(2R,4S)-rel-4-Methyl-1,2-piperidinedicarboxylic Acid 1-(1,1-Dimethylethyl) Ester has been used in the preparation of homoproline (H605000), a GABA-uptake inhibitor derived from proline
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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