1-tert-Butyl 3-ethyl 4-oxopyrrolidine-1,3-dicarboxylate
- CAS NO.：146256-98-6
- Empirical Formula: C12H19NO5
- Molecular Weight: 257.28
- MDL number: MFCD06656201
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-03-04 08:47:27
What is 1-tert-Butyl 3-ethyl 4-oxopyrrolidine-1,3-dicarboxylate?
Chemical properties
White to slightly yellow crystalline powd
Properties of 1-tert-Butyl 3-ethyl 4-oxopyrrolidine-1,3-dicarboxylate
| Melting point: | 54.0 to 59.0 °C |
| Boiling point: | 120°C/0.4mmHg(lit.) |
| Density | 1.182 |
| storage temp. | Inert atmosphere,Store in freezer, under -20°C |
| form | powder to crystal |
| pka | 11.19±0.20(Predicted) |
| color | White to Light yellow |
| InChI | InChI=1S/C12H19NO5/c1-5-17-10(15)8-6-13(7-9(8)14)11(16)18-12(2,3)4/h8H,5-7H2,1-4H3 |
Safety information for 1-tert-Butyl 3-ethyl 4-oxopyrrolidine-1,3-dicarboxylate
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. |
Computed Descriptors for 1-tert-Butyl 3-ethyl 4-oxopyrrolidine-1,3-dicarboxylate
| InChIKey | CWRFSVAKVCSOPI-UHFFFAOYSA-N |
| SMILES | N1(C(OC(C)(C)C)=O)CC(=O)C(C(OCC)=O)C1 |
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product: Ethyl N-Boc-4-Oxopyrrolidine-3-carboxylate 98%
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