Ethyl 2-oxocyclopentanecarboxylate
Synonym(s):2-(Ethoxycarbonyl)cyclopentanone;Ethyl cyclopentanone-2-carboxylate
- CAS NO.：611-10-9
- Empirical Formula: C8H12O3
- Molecular Weight: 156.18
- MDL number: MFCD00001412
- EINECS: 210-253-0
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-08-21 22:41:43
What is Ethyl 2-oxocyclopentanecarboxylate?
Chemical properties
clear colourless to pale yellow liquid
The Uses of Ethyl 2-oxocyclopentanecarboxylate
Ethyl 2-oxocyclopentanecarboxylate was used in stereoselective synthesis of (±)-cis,cis-spiro[4.4]nonane-1,6-diol. It was also used in the synthesis of tanikolide.
The Uses of Ethyl 2-oxocyclopentanecarboxylate
Pharmaceutical intermediate.
Synthesis Reference(s)
Journal of the American Chemical Society, 85, p. 207, 1963 DOI: 10.1021/ja00885a021
The Journal of Organic Chemistry, 55, p. 5037, 1990 DOI: 10.1021/jo00304a014
Tetrahedron Letters, 22, p. 1353, 1981 DOI: 10.1016/S0040-4039(01)90316-8
General Description
Phase-transfer benzylation reaction of ethyl 2-oxocyclopentanecarboxylate with benzyl bromide in microreactor has been investigated. Ethyl 2-oxocyclopentanecarboxylate participates in cobalt (II) Schiff′s base complex catalyzed oxidation of primary and secondary alcohols.
Hazard
Vapors are toxic, as is skin contact.
Properties of Ethyl 2-oxocyclopentanecarboxylate
| Boiling point: | 102-104 °C/11 mmHg (lit.) |
| Density | 1.054 g/mL at 25 °C (lit.) |
| refractive index | n |
| Flash point: | 172 °F |
| storage temp. | Sealed in dry,Room Temperature |
| form | Liquid |
| pka | 12.02±0.20(Predicted) |
| color | Clear colorless to pale yellow |
| Water Solubility | insoluble |
| BRN | 387787 |
| CAS DataBase Reference | 611-10-9(CAS DataBase Reference) |
| NIST Chemistry Reference | Cyclopentanecarboxylic acid, 2-oxo-, ethyl ester(611-10-9) |
Safety information for Ethyl 2-oxocyclopentanecarboxylate
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H227:Flammable liquids |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P280:Wear protective gloves/protective clothing/eye protection/face protection. P370+P378:In case of fire: Use … for extinction. P403+P235:Store in a well-ventilated place. Keep cool. P501:Dispose of contents/container to..… |
Computed Descriptors for Ethyl 2-oxocyclopentanecarboxylate
| InChIKey | JHZPNBKZPAWCJD-UHFFFAOYSA-N |
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product: Ethyl Cyclopentanone-2-carboxylate 611-10-9 98%
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