Ethyl 2-oxocyclopentanecarboxylate - CAS 611-10-9
Catalog: |
BB030952 |
Product Name: |
Ethyl 2-oxocyclopentanecarboxylate |
CAS: |
611-10-9 |
Synonyms: |
Cyclopentanecarboxylic acid, 2-oxo-, ethyl ester; (±)-2-Oxocyclopentanecarboxylic acid ethyl ester; 1-Oxocyclopentane-2-carboxylic acid ethyl ester; 2-(Ethoxycarbonyl)-1-cyclopentanone; 2-(Ethoxycarbonyl)cyclopentanone; 2-Carbethoxy-1-cyclopentanone; 2-Carbethoxycyclopentanone; 2-Cyclopentanonecarboxylic acid ethyl ester; 2-Oxocyclopentane-1-carboxylic acid ethyl ester; 2-Oxocyclopentanecarboxylic acid ethyl ester; Ethyl (±)-2-oxocyclopentanecarboxylate; Ethyl 2-cyclopentanone-1-carboxylate; Ethyl 2-cyclopentanonecarboxylate; Ethyl 2-oxo-1-cyclopentanecarboxylate; Ethyl 2-oxocyclopentanoate; Ethyl 2-oxocyclopentylcarboxylate; NSC 22055; NSC 5658; α-(Carboethoxy)cyclopentanone |
Related CAS: | 53229-92-8 (Deleted CAS)
|
IUPAC Name: | ethyl 2-oxocyclopentane-1-carboxylate |
Molecular Weight: | 156.18 |
Molecular Formula: | C8H12O3 |
Canonical SMILES: | CCOC(=O)C1CCCC1=O |
InChI: | InChI=1S/C8H12O3/c1-2-11-8(10)6-4-3-5-7(6)9/h6H,2-5H2,1H3 |
InChI Key: | JHZPNBKZPAWCJD-UHFFFAOYSA-N |
Boiling Point: | 221°C |
Purity: | ≥95% |
Density: | 1.0800 g/cm3 |
Appearance: | Clear colourless to pale yellow liquid |
MDL: | MFCD00001412 |
LogP: | 0.91870 |
GHS Hazard Statement: | H227 (100%): Combustible liquid [Warning Flammable liquids] |
Precautionary Statement: | P210, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21639117 | 20110715 | Cu(I)- and Cu(II)-catalyzed cyclo- and Michael addition reactions of unsaturated β-ketoesters | The Journal of organic chemistry |
21254751 | 20110307 | Gold(III) N-heterocyclic carbene complexes mediated synthesis of β-enaminones from 1,3-dicarbonyl compounds and aliphatic amines | Inorganic chemistry |
16268604 | 20051111 | From cyclopentanone oximes to bis[1,2,3]dithiazolo-s-indacenes, cyclopenta[c][1,2]thiazine, pentathiepino-, tetrathiino-, and thienocyclopenta[1,2,3]dithiazoles as a rich source of new materials | The Journal of organic chemistry |
16189578 | 20050707 | Investigations into the metal species of the homogeneous iron(III) catalyzed Michael addition reactions | Physical chemistry chemical physics : PCCP |
15387595 | 20041001 | Synthesis of bicyclo[4.n.1]alkanones | The Journal of organic chemistry |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 156.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 156.078644241 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 43.4 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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