Ethyl 2-oxocyclopentanecarboxylate - ≥97%, used for 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. various applications , CAS No.611-10-9

CAS: 611-10-9 Cat. No.: E100850 Summenformel: C₈H₁₂O₃ Molekulargewicht: 156.18 Beilstein Registry Number: 387787 EG-Nummer: 210-253-0

GRADE & PURITY ≥97%

Synonyms

2-Carbethoxycyclopentanone | Ethyl cyclopentanone-2-carboxylate | Cyclopentanecarboxylic acid, 2-oxo-, ethyl ester | Ethyl 2-oxocyclopentanecarboxylate | MFCD00001412 | Cyclopentanone-2-carboxylic acid ethyl ester | ethyl 2-oxocyclopentane-1-carboxylate |

Storage

Room temperature,Argon charged

Shipped In

Normal

Übersicht

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.
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.

Specifications

Synonyme

2-Carbethoxycyclopentanone | Ethyl cyclopentanone-2-carboxylate | Cyclopentanecarboxylic acid, 2-oxo-, ethyl ester | Ethyl 2-oxocyclopentanecarboxylate | MFCD00001412 | Cyclopentanone-2-carboxylic acid ethyl ester | ethyl 2-oxocyclopentane-1-carboxylate |

Spezifikationen & Reinheit

≥97%

Anmeldung

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.

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

488184231

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184231

Kanonisches Lächeln

CCOC(=O)C1CCCC1=O

IUPAC Name

ethyl 2-oxocyclopentane-1-carboxylate

InChIKey

JHZPNBKZPAWCJD-UHFFFAOYSA-N

INCHI

1S/C8H12O3/c1-2-11-8(10)6-4-3-5-7(6)9/h6H,2-5H2,1H3

Isomere SMILES

CCOC(=O)C1CCCC1=O

WGK Deutschland

3

Alternative CAS-Nummer

611-10-9

NSC-Nummer

5658

MeSH-Eintrag

ethyl 2-oxocyclopentanecarboxylate

Molekulargewicht

156.18

Beilstein

387787

Reaxy-Rn

387787

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=387787&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,3-dicarbonyl compounds
• Alternative Parents: Cyclic ketones Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: 1,3-dicarbonyl compound - Cyclic ketone - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 1,3-dicarbonyl compounds. These are carbonyl compounds with the generic formula O=C(R)C(H)C(R')=O, where R and R' can be any group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.451
• Flammpunkt (°F): 170.6 °F
• Flammpunkt (°C): 77℃
• Siedepunkt (°C): 102-104°C
• Molekulargewicht: 156.180 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 156.079 Da
• Monoisotopic Mass: 156.079 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 174.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1