tert-butyl (2R)-2-acetylpyrrolidine-1-carboxylate
Basic information
- CAS
675185-27-0- Standard SMILES
CC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C- InChIKey
NNCPMJHKYIRKSA-SECBINFHSA-N- Molecular formula
- C11H19NO3
- Average molar mass
- 213.27 g/mol
- Monoisotopic mass
- 213.13649347
Names & identifiers
- Preferred name
- tert-butyl (2R)-2-acetylpyrrolidine-1-carboxylate
- IUPAC
- tert-butyl (2R)-2-acetylpyrrolidine-1-carboxylate
- English name
- (R)-1-Boc-2-acetyl-pyrrolidine
- Molecular formula
- C11H19NO3
- Molecular weight
- 213.27
Names & synonyms
675185-27-0tert-butyl (2r)-2-acetylpyrrolidine-1-carboxylateRefChem:891612865-025-9(R)-1-Boc-2-acetyl-pyrrolidine(R)-TERT-BUTYL 2-ACETYLPYRROLIDINE-1-CARBOXYLATEMFCD11975894SCHEMBL5469907(2R)-1-Boc-2-acetylpyrrolidinetert-butyl(2r)-2-acetylpyrrolidine-1-carboxylate(R)-1-(1-Boc-2-pyrrolidinyl)ethanoneSY097649
Show more names
tert-butyl (R)-2-formylpyrrolidine-1-carboxylate1-Pyrrolidinecarboxylic acid, 2-acetyl-, 1,1-dimethylethyl ester, (2R)-
tert-butyl (2r)-2-acetylpyrrolidin-1-ylcarboxylateNNCPMtert-butyl (R)-2-acetylpyrrolidine-1-carboxylateNNCPMJHKYIRKSA-SECBINFHSA-NACB18527AKOS024261962AS-52719DB-344103
Database identifiers
- CAS
675185-27-0- PubChem CID
- 57741610
- EC Number
- 865-025-9
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 267
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Appearance
- Off-white to light yellow Solid
- optical activity
- 43.301 ° · 43.301°(C=0.01 g/ml MeOH)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- 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
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses(R)-tert-Butyl 2-acetylpyrrolidine-1-carboxylate may be useful in the preparation of 5-substituted imidazolidine-2,4-diones as metalloproteinase inhibitors.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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