718327

Ethyl 5-[(4-methylphenyl)sulfonyl]-3-oxopentanoate

95%

• Synonym(s): 5-[(4-Methylphenyl)sulfonyl]-3-oxopentanoic acid ethyl ester
• Empirical Formula (Hill Notation): C₁₄H₁₈O₅S
• CAS Number: 1093348-62-9
• Molecular Weight: 298.35
• MDL number: MFCD15144875
• UNSPSC Code: 12352108
• PubChem Substance ID: 329763568
• NACRES: NA.22

Properties

• assay: 95%
• form: solid
• reaction suitability: reaction type: C-C Bond Formation
• mp: 42-46 °C
• functional group: ester; ketone; sulfone
• SMILES string: CCOC(=O)CC(=O)CCS(=O)(=O)c1ccc(C)cc1
• InChI: 1S/C14H18O5S/c1-3-19-14(16)10-12(15)8-9-20(17,18)13-6-4-11(2)5-7-13/h4-7H,3,8-10H2,1-2H3
• InChI key: APRUPJUUTCSBAE-UHFFFAOYSA-N

Description

Application

Ethyl 5-[(4-methylphenyl)sulfonyl]-3-oxopentanoate can be used as a reactant to prepare:

• Ethyl 3-oxopent-4-enoate (Nazarov′s reagent) via base-induced β-elimination reaction. Nazarov′s reagent can be employed as an anulating agent in Robinson annulation of cyclic β-diketones and cycloalkanones.
• γ-pyrones via triflic anhydride-mediated electrophilic condensation reaction.

Reactant for:

• Preparation of the Nazarov reagent via base-induced ß-elimination reaction

Safety Information

• pictograms: GHS05
• signalword: Danger
• hcodes: H318
• pcodes: P280 - P305 + P351 + P338
• Hazard Classifications: Eye Dam. 1
• Storage Class: 13 - Non Combustible Solids
• wgk_germany: nwg
• flash_point_f: >230.0 °F - closed cup
• flash_point_c: > 110 °C - closed cup