Tert-butyl 3-(3-ethoxy-3-oxopropanoyl)pyrrolidine-1-carboxylate
Basic information
- CAS
889955-52-6- Standard SMILES
CCOC(=O)CC(=O)C1CCN(C(=O)OC(C)(C)C)C1- InChIKey
XJQOTLQCHLIYFO-UHFFFAOYSA-N- Molecular formula
- C14H23NO5
- Average molar mass
- 285.34 g/mol
- Monoisotopic mass
- 285.15762283
Names & identifiers
- Preferred name
- Tert-butyl 3-(3-ethoxy-3-oxopropanoyl)pyrrolidine-1-carboxylate
- IUPAC
- tert-butyl 3-(3-ethoxy-3-oxopropanoyl)pyrrolidine-1-carboxylate
- English name
- 3-(2-ETHOXYCARBONYL-ACETYL)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
- Molecular formula
- C14H23NO5
- Molecular weight
- 285.34
Names & synonyms
889955-52-6TERT-BUTYL 3-(3-ETHOXY-3-OXOPROPANOYL)PYRROLIDINE-1-CARBOXYLATEETHYL 3-(1-BOC-3-PYRROLIDINYL)-3-OXOPROPANOATEMFCD064106493-(2-ETHOXYCARBONYL-ACETYL)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER1-Boc-3-(3-ethoxy-3-oxopropanoyl)pyrrolidineSCHEMBL584306XJQOTLQCHLIYFO-UHFFFAOYSA-NPKB95552AKOS022183981PB20164AS-76687
Show more names
1-BOC-BETA-OXO-3-PYRROLIDINEPROPANOIC ACID ETHYL ESTER3-Pyrrolidinepropanoic acid, 1-[(1,1-dimethylethoxy)carbonyl]-β-oxo-, ethyl ester
SY014513Ethyl 1-Boc-b-oxo-3-pyrrolidinepropanoateDB-078278CS-0054817P10357EN300-7399451F800248A1-11391
Database identifiers
- CAS
889955-52-6- PubChem CID
- 24730278
- EC Number
- 182-504-1
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 386
Physicochemical properties
- Boiling point
- 369.9 · 369.9±32.0 °C(Predicted)
- Density
- 1.135 · 1.135±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 10.4 · 10.40±0.20(Predicted)
- 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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H317
- Precautionary statements
- P280
Related reactions
1 records
Compound notes
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