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 Formula: C₈H₁₂O₃ Peso molecolare: 156.18 Beilstein Registry Number: 387787 Numero EC: 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

Panoramica

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

Sinonimi

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 |

Specifiche e purezza

≥97%

Applicazione

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.

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 488184231
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184231
• Sorrisi canonici: 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
• Isomeri SMILES: CCOC(=O)C1CCCC1=O
• WGK Germania: 3
• CAS alternativo: 611-10-9
• Numero NSC: 5658
• Termini MeSH: ethyl 2-oxocyclopentanecarboxylate
• Peso molecolare: 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
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Descrizione: 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.451
• Punto di infiammabilità (°F): 170.6 °F
• Punto di infiammabilità (°C): 77℃
• Punto di ebollizione (°C): 102-104°C
• Peso molecolare: 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