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Methyl 3-(3-chlorophenyl)-3-oxopropanoate

  • CAS No. 632327-19-6

  • Cat. No. CS-0046986
  • Purity≥97%
  • MDL No.MFCD03424772

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

Methyl 3-(3-chlorophenyl)-3-oxopropanoate|CS-0046986

Structure of 632327-19-6

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General Information

  • CAS No. 632327-19-6
  • Cat. No. CS-0046986
  • Purity ≥97%
  • MDL No. MFCD03424772
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉ClO₃
  • Molecular Weight None
  • Synonym(s) Methyl3-(3-chlorophenyl)-3-oxopropanoate
  • SMILES O=C(CC(OC)=O)C1=CC(Cl)=CC=C1

Description

Methyl 3-(3-chlorophenyl)-3-oxopropanoate features a conjugated enone system flanked by a chlorinated aromatic ring and an ester group, enabling direct participation in Michael additions and Claisen condensations. This bench-stable reagent integrates readily into synthetic sequences requiring electrophilic aryl ketone surrogates.

Application

Methyl 3-(3-chlorophenyl)-3-oxopropanoate serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted indoles and related scaffolds via cyclization reactions. The α,β-unsaturated ketone functionality supports Michael additions and condensation cascades, while the ester group permits further derivatization. Bench-stable and readily purified by column chromatography, it functions reliably in multistep sequences requiring functional group tolerance and predictable reactivity.

Synthesis

  • Route1
    • null|null
      616-38-6
    • null|null
      99-02-5
    • ~95%
    • In-stock
      Methyl 3-(3-chlorophenyl)-3-oxopropanoate|CS-0046986
      632327-19-6

    References

    • Reddy, K. Raja; Erion, Mark D.; Matelich, Michael C.; Kopcho, Joseph J. Patent: US2003/229225 A1, 2003 ; Location in patent: Page 18 ;
  • Route2
    • null|null
      99-02-5
    • null|null
      105-58-8
    • ~%
    • In-stock
      Methyl 3-(3-chlorophenyl)-3-oxopropanoate|CS-0046986
      632327-19-6

    References

    • Reddy, K. Raja; Erion, Mark D. Patent: US2005/182252 A1, 2005 ; Location in patent: Page/Page column 38-39 ;

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   2.0858
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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