Tert-butyl 4-hydroxy-2-oxopyrrolidine-1-carboxylate
Basic information
- CAS
409341-03-3- Standard SMILES
CC(C)(C)OC(=O)N1CC(O)CC1=O- InChIKey
GUVYWSACSIYEDN-UHFFFAOYSA-N- Molecular formula
- C9H15NO4
- Average molar mass
- 201.22 g/mol
- Monoisotopic mass
- 201.10010796
Names & identifiers
- Preferred name
- Tert-butyl 4-hydroxy-2-oxopyrrolidine-1-carboxylate
- IUPAC
- tert-butyl 4-hydroxy-2-oxopyrrolidine-1-carboxylate
- English name
- tert-Butyl 4-hydroxy-2-oxopyrrolidine-1-carboxylate
- Molecular formula
- C9H15NO4
- Molecular weight
- 201.22
Names & synonyms
tert-Butyl 4-hydroxy-2-oxopyrrolidine-1-carboxylate409341-03-3RefChem:894060826-900-0MFCD099530751-Boc-4-hydroxypyrrolidin-2-onetert-Butyl4-hydroxy-2-oxopyrrolidine-1-carboxylateSCHEMBL3738809Tert-butyl 4-hydroxy-2-oxo-pyrrolidine-1-carboxylateGUVYWSACSIYEDN-UHFFFAOYSA-N1-Boc-4-hydroxy-2-oxopyrrolidineVMA34358
Show more names
1-Boc-4-hydroxy-2-oxo-pyrrolidine(+/-)-N-BOC-4-HYDROXY-2-PYRROLIDINONE1-Pyrrolidinecarboxylic acid, 4-hydroxy-2-oxo-ert-Butyl4-hydroxy-2-oxopyrrolidine-1-carboxylateTERT-BUTYL 4-HYDROXY-2-OXOPYRROLIDINE-1-CARBOXYLATE USP/EP/BP1-Pyrrolidinecarboxylic acid, 4-hydroxy-2-oxo-, 1,1-dimethylethyl ester
AKOS015900888SB47364SB47988AS-30312SY162945DB-070112CS-0055113EN300-193147
Database identifiers
- CAS
409341-03-3- PubChem CID
- 9899129
- EC Number
- 826-900-0
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- Boiling point
- 360.6 · 360.6±35.0 °C(Predicted)
- Density
- 1.254 · 1.254±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 13.47 · 13.47±0.20(Predicted)
- Appearance
- off-white solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317
- Precautionary statements
- 280 · P280
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)
Aggregated GHS information provided per 29 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H317
- Precautionary statements
- P280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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