Ethyl-2-oxocyclopentancarboxylat

Ethyl 2-oxocyclopentanecarboxylate

HCID 69136CAS 611-10-9
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Grundinformationen

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
DTXSID
DTXSID80871790
ChEMBL
CHEMBL3747058
EC Number
210-253-0
Nikkaji
J23.239D

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,9
Polarare Oberfläche (TPSA)
43,4 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
3
Schwere Atome
11

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

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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
29183000
risk_code
36/37/38
hazard_code
Xi
safety_code
23-24/25-36/37-26

Chemie und Industrie

Anwendungen · 2 Einträge

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.

Vor- und nachgelagerte Produkte

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国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

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