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Ethyl 2-chloro-3-oxo-3-phenylpropanoate

  • CAS No. 41381-97-9

  • Cat. No. CS-0230692
  • Purity≥97%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

Ethyl 2-chloro-3-oxo-3-phenylpropanoate|CS-0230692

Structure of 41381-97-9

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General Information

  • CAS No. 41381-97-9
  • Cat. No. CS-0230692
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₁ClO₃
  • Molecular Weight 226.66
  • Synonym(s) Benzenepropanoic acid, α-chloro-β-oxo-, ethyl ester
  • SMILES O=C(OCC)C(Cl)C(C1=CC=CC=C1)=O

Description

Ethyl 2-chloro-3-oxo-3-phenylpropanoate is a bench-stable, moisture-tolerant reagent featuring a chlorinated β-keto ester motif flanked by a phenyl group. This structural combination enables direct integration into multicomponent coupling reactions and facilitates the synthesis of complex heterocycles under mild conditions.

Application

Ethyl 2-chloro-3-oxo-3-phenylpropanoate serves as a versatile building block in synthetic organic chemistry, enabling efficient construction of substituted indoles and other heterocyclic scaffolds. The α-chloro ketone functionality facilitates nucleophilic substitution and enolization reactions under mild conditions. Its bench-stable nature and compatibility with diverse functional groups make it well-suited for multi-step synthesis workflows in medicinal chemistry and process development.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   2.0398
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   4

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