tert-butyl (2S,3S)-3-hydroxy-2-methyl-5-oxopyrrolidine-1-carboxylate
Basic information
- CAS
664364-20-9- Standard SMILES
C[C@H]1[C@@H](O)CC(=O)N1C(=O)OC(C)(C)C- InChIKey
KISRHDLCFAHVPK-BQBZGAKWSA-N- Molecular formula
- C10H17NO4
- Average molar mass
- 215.25 g/mol
- Monoisotopic mass
- 215.11575802
Names & identifiers
- Preferred name
- tert-butyl (2S,3S)-3-hydroxy-2-methyl-5-oxopyrrolidine-1-carboxylate
- IUPAC
- tert-butyl (2S,3S)-3-hydroxy-2-methyl-5-oxopyrrolidine-1-carboxylate
- English name
- tert-butyl 3-hydroxy-2-methyl-5-oxopyrrolidine-1-carboxylate
- Molecular formula
- C10H17NO4
- Molecular weight
- 215.25
Names & synonyms
664364-20-9tert-butyl (2S,3S)-3-hydroxy-2-methyl-5-oxopyrrolidine-1-carboxylateRefChem:891754997-720-9tert-butyl (2S,3S)-3-hydroxy-2-methyl-5-oxo-pyrrolidine-1-carboxylateMFCD27981369(2S,3S)-tert-Butyl 3-hydroxy-2-methyl-5-oxopyrrolidine-1-carboxylatetert-butyl 3-hydroxy-2-methyl-5-oxopyrrolidine-1-carboxylate1-pyrrolidinecarboxylic acid, 3-hydroxy-2-methyl-5-oxo-, 1,1-dimethylethyl ester, (2S,3S)-SCHEMBL18593025YQF4663ALBB-026667
Show more names
(4S,5S)-1-Boc-4-hydroxy-5-methylpyrrolidin-2-onetert-butyl (2S)-3-hydroxy-2-methyl-5-oxopyrrolidine-1-carboxylatetert-butyl (2S,3S)-3-hydroxy-2-methyl-5-oxo-pyrrolidine-1-carboxylate - [B87193]
MFCD24473338AKOS017259087PS-15879CS-0088930P19577EN300-7466591F615740(2S,3S)-1-Boc-3-hydroxy-2-methyl-5-oxopyrrolidine
Database identifiers
- CAS
664364-20-9- PubChem CID
- 75412486
- EC Number
- 997-720-9
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 282
Physicochemical properties
- Boiling point
- 362.701 · 362.701±35.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.193 · 1.193±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.491 · 13.491±0.40(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.
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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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