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Atomfair Ethyl 3-(3-chloro-2,4,5-trifluorophenyl)-3-oxopropanoate C11H8ClF3O3 CAS 101987-86-4

Ethyl 3-(3-chloro-2,4,5-trifluorophenyl)-3-oxopropanoate (CAS No. 101987-86-4) is a high-purity fluorinated organic compound with the molecular formula C11H8ClF3O3. This specialized ester features a trifluorinated phenyl ring with a chloro substituent, offering unique reactivity for advanced synthetic applications. The compound is supplied as a clear to pale-yellow liquid with ≥95% purity (GC), ideal for pharmaceutical intermediates, agrochemical research, and material science. Its β-keto ester functionality makes it a versatile building block for condensation reactions and heterocyclic synthesis. Proper storage at 2-8°C under inert atmosphere is recommended to maintain stability.

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Description

Ethyl 3-(3-chloro-2,4,5-trifluorophenyl)-3-oxopropanoate (CAS No. 101987-86-4) is a high-purity fluorinated organic compound with the molecular formula C11H8ClF3O3. This specialized ester features a trifluorinated phenyl ring with a chloro substituent, offering unique reactivity for advanced synthetic applications. The compound is supplied as a clear to pale-yellow liquid with ≥95% purity (GC), ideal for pharmaceutical intermediates, agrochemical research, and material science. Its β-keto ester functionality makes it a versatile building block for condensation reactions and heterocyclic synthesis. Proper storage at 2-8°C under inert atmosphere is recommended to maintain stability.

Properties

  • CAS Number: 101987-86-4
  • Complexity: 327
  • IUPAC Name: ethyl 3-(3-chloro-2,4,5-trifluoro-phenyl)-3-oxo-propanoate
  • InChI: InChI=1S/C11H8ClF3O3/c1-2-18-8(17)4-7(16)5-3-6(13)11(15)9(12)10(5)14/h3H,2,4H2,1H3
  • InChI Key: LZMXLCPYJNRWNQ-UHFFFAOYSA-N
  • Exact Mass: 280.0114063
  • Molecular Formula: C11H8ClF3O3
  • Molecular Weight: 280.63
  • SMILES: CCOC(=O)CC(=O)C1=CC(=C(C(=C1F)Cl)F)F
  • Topological: 43.4
  • Monoisotopic Mass: 280.0114063
  • Synonyms: 101987-86-4, Ethyl 3-(3-chloro-2,4,5-trifluorophenyl)-3-oxopropanoate, ETHYL 3-CHLORO-2,4,5-TRIFLUOROBENZOYLACETATE, Benzenepropanoic acid, 3-chloro-2,4,5-trifluoro-beta-oxo-, ethyl ester, Ethyl 2-(3-chloro-2,4,5-trifluorobenzoyl)acetate, Ethyl beta-(3-chloro-2,4,5-trifluorophenyl)-beta-oxopropionate, Ethyl3-(3-chloro-2,4,5-trifluorophenyl)-3-oxopropanoate, MFCD09037898, C11H8ClF3O3, SCHEMBL3190199, DTXSID90448957, LZMXLCPYJNRWNQ-UHFFFAOYSA-N, BCP10400, AB2837, 3-(3-CHLORO-2,4,5-TRIFLUORO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER, AKOS005762853, AC-22721, DS-15133, FE101934, DB-001363, 3-(3-chloro-2,4,5-trifluorophenyl)-3-oxopropanoic acid, 3-Chloro-2,4,5-trifluoro-beta-oxo-benzenepropanoic acid ethyl ester, Benzenepropanoic acid, 3-chloro-2,4,5-trifluoro-|A-oxo-, ethyl ester

Application

This fluorinated β-keto ester serves as a key intermediate in the synthesis of complex heterocycles with potential pharmaceutical activity. Researchers utilize it in the development of novel antibacterial and antifungal agents due to its trifluoromethyl and chloro substituents. The compound’s reactivity enables its use in Knoevenagel condensations and Michael additions for constructing bioactive molecules. It is particularly valuable in medicinal chemistry for creating fluorinated analogs of lead compounds.

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Disclaimer

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