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 Fórmula: C₈H₁₂O₃ Peso molecular: 156.18 Beilstein Registry Number: 387787 Número CE: 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

Visão geral

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

Sinónimos

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 |

Especificações e pureza

≥97%

Aplicação

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.

Condições de armazenamento de armazenamento

Room temperature,Argon charged

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

488184231

Pubchem Sid Url

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

Sorrisos canónicos

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

SMILES isoméricas

CCOC(=O)C1CCCC1=O

WGK Alemanha

3

CAS alternativo

611-10-9

Número NSC

5658

Termos de entrada MeSH

ethyl 2-oxocyclopentanecarboxylate

Peso molecular

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
• Descrição: 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

Mecanismos de ação

Propriedades químicas e físicas

• Índice de refração: 1.451
• Ponto de inflamação (°F): 170.6 °F
• Ponto de inflamação (°C): 77℃
• Ponto de ebulição (°C): 102-104°C
• Peso molecular: 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