Ethyl 2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetate
Katalognummer B144351
Key on ui cas rn:
62613-81-4
Molekulargewicht: 187.19 g/mol
InChI-Schlüssel: YDBONCLBTWFUPF-UHFFFAOYSA-N
Achtung: Nur für Forschungszwecke. Nicht für den menschlichen oder tierärztlichen Gebrauch.
Patent
US04629797
Procedure details
A solution of 0.16 g ethyl 2-oxo-4-(tetrahydropyran-2-yl)-1-pyrrolidineacetate is dissolved in 5 ml ethanol containing 16 mg pyridinium p-toluenesulphonate. The mixture is heated 4 h at 35° , the ethanol is evaporated and the residue chromatographed on silica. The title compound is obtained as a colourless oil in 62% yield.
Name
ethyl 2-oxo-4-(tetrahydropyran-2-yl)-1-pyrrolidineacetate
Quantity
0.16 g
Type
reactant
Reaction Step One
Name
Yield
62%
Identifiers
|
REACTION_CXSMILES
|
[O:1]=[C:2]1[CH2:6][CH:5](C2CCCCO2)[CH2:4][N:3]1[CH2:13][C:14]([O:16][CH2:17][CH3:18])=[O:15].C([OH:21])C>>[OH:21][CH:5]1[CH2:4][N:3]([CH2:13][C:14]([O:16][CH2:17][CH3:18])=[O:15])[C:2](=[O:1])[CH2:6]1
|
Inputs
Step One
|
Name
|
ethyl 2-oxo-4-(tetrahydropyran-2-yl)-1-pyrrolidineacetate
|
|
Quantity
|
0.16 g
|
|
Type
|
reactant
|
|
Smiles
|
O=C1N(CC(C1)C1OCCCC1)CC(=O)OCC
|
|
Name
|
|
|
Quantity
|
5 mL
|
|
Type
|
reactant
|
|
Smiles
|
C(C)O
|
Conditions
Other
|
Conditions are dynamic
|
1
|
|
Details
|
See reaction.notes.procedure_details.
|
Workups
TEMPERATURE
|
Type
|
TEMPERATURE
|
|
Details
|
The mixture is heated 4 h at 35°
|
|
Duration
|
4 h
|
CUSTOM
|
Type
|
CUSTOM
|
|
Details
|
the ethanol is evaporated
|
CUSTOM
|
Type
|
CUSTOM
|
|
Details
|
the residue chromatographed on silica
|
Outcomes
Product
|
Name
|
|
|
Type
|
product
|
|
Smiles
|
OC1CC(N(C1)CC(=O)OCC)=O
|
Measurements
| Type | Value | Analysis |
|---|---|---|
| YIELD: PERCENTYIELD | 62% |
Source
|
Source
|
Open Reaction Database (ORD) |
|
Description
|
The Open Reaction Database (ORD) is an open-access schema and infrastructure for structuring and sharing organic reaction data, including a centralized data repository. The ORD schema supports conventional and emerging technologies, from benchtop reactions to automated high-throughput experiments and flow chemistry. Our vision is that a consistent data representation and infrastructure to support data sharing will enable downstream applications that will greatly improve the state of the art with respect to computer-aided synthesis planning, reaction prediction, and other predictive chemistry tasks. |
