Ethyl-2-oxocyclopentancarboxylat
Ethyl 2-oxocyclopentanecarboxylate
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Grundinformationen
- CAS
611-10-9- Standard-SMILES
CCOC(=O)C1CCCC1=O- InChIKey
JHZPNBKZPAWCJD-UHFFFAOYSA-N- Summenformel
- C8H12O3
- Durchschnittliche Molmasse
- 156,18 g/mol
- Monoisotopische Masse
- 156,07864424
Überblick
structure in first source
Namen und Bezeichner
- Bevorzugter Name
- Ethyl 2-oxocyclopentanecarboxylate
- IUPAC
- ethyl 2-oxocyclopentane-1-carboxylate
- Lokaler Name
- Ethyl-2-oxocyclopentancarboxylat
- Englischer Name
- Ethyl 2-oxocyclopentanecarboxylate
- Summenformel
- C8H12O3
- Molmasse
- 156.18
Namen und Synonyme
Ethyl 2-oxocyclopentanecarboxylate611-10-9DTXSID80871790RefChem:138631DTXCID20819414210-253-0ethyl 2-oxocyclopentane-1-carboxylate2-CarbethoxycyclopentanoneEthyl cyclopentanone-2-carboxylateMFCD00001412Cyclopentanecarboxylic acid, 2-oxo-, ethyl esterCyclopentanone-2-carboxylic acid ethyl ester
Weitere Namen anzeigen
2-OxocyclopentanecarboxylateEhtyl2-oxocycLAKOS AU36-M83opentanecarboxyLEthyl 2-oxocyclopent
Ethyl 2-oxo-1-cyclopentanecarboxylate2-(Ethoxycarbonyl)cyclopentanoneEthyl 2-cyclopentanonecarboxylate.alpha.-(Carboethoxy)cyclopentanone2-Carboethoxycyclopentanone2-Ethoxycarbonylcyclopentanone2-Carbethoxy-1-cyclopentanone2-Oxocyclopentanecarboxylic acid ethyl ester
Datenbank-Bezeichner
- CAS
611-10-9- PubChem CID
- 69136
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 0,9
- Polarare Oberfläche (TPSA)
- 43,4 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 174
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Esters, Other
Physical DescriptionClear colorless to light yellow liquid; [Acros Organics MSDS]
Physikochemische Eigenschaften
- Siedepunkt
- 102 · 102-104 °C/11 mmHg (lit.)
- Dichte
- 1.054 g/mL · 1.054 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.452(lit.)
- Flammpunkt
- 172 °F · 172 °F
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- Liquid
- pka
- 12.02 · 12.02±0.20(Predicted)
- Farbe
- Clear colorless to pale yellow
- Wasserlöslichkeit
- insoluble
- BRN
- 387787 · 387787
- InChI
- InChI=1S/C8H12O3/c1-2-11-8(10)6-4-3-5-7(6)9/h6H,2-5H2,1H3
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 75% (3 of 4) of all reports.
Warning
H227 (25%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationCyclopentanecarboxylic acid, 2-oxo-, ethyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryMay cause irritation; [Acros Organics MSDS]
Hazard Classes and CategoriesFlam. Liq. 4 (25%)
Sicherheitsdaten
- F
- 10
- wgk
- 3
- hs_code
- 2918300090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 23-24/25-36/37-26
- hazard_class
- IRRITANT
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
Anwendungen
BeschreibungEthyl 2-oxocyclopentanecarboxylate (EOCPC) is a multifunctional organic reagent that can be used as a pharmaceutical intermediate or raw material for chemical synthesis. EOCPC reacts with kaolinite to prepare intercalation compounds. It also participates in Michael reactions and diazonium transfer reactions for the preparation of other active ingredients.
VerwendenEthyl 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.
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