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CS-W001157 4
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Ethyl 3-iodopropanoate

  • CAS No. 6414-69-3

  • Cat. No. CS-W002223
  • Purity≥95%
  • MDL No.MFCD00045323

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

Ethyl 3-iodopropanoate|CS-W002223

Structure of 6414-69-3

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General Information

  • CAS No. 6414-69-3
  • Cat. No. CS-W002223
  • Purity ≥95%
  • MDL No. MFCD00045323
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₉IO₂
  • Molecular Weight 228.03
  • Synonym(s) Propanoic acid, 3-iodo-, ethyl ester
  • SMILES ICCC(=O)OCC

Description

Ethyl 3-iodopropanoate is a versatile alkylating agent featuring a reactive iodide handle at the γ-position. This electrophilic moiety enables efficient conjugation in nucleophilic substitution reactions, particularly in the synthesis of functionalized aliphatic chains. The ester group provides solubility in common organic solvents and compatibility with standard reaction conditions.

Application

Ethyl 3-iodopropanoate serves as a versatile alkylating agent in synthetic organic chemistry, enabling efficient C–C bond formation via nucleophilic substitution. Its iodide functionality exhibits high reactivity under mild conditions, facilitating the synthesis of γ-substituted carboxylic acid derivatives and heterocyclic scaffolds. The ester group provides compatibility with standard transformations, including hydrolysis and reduction, while the molecule demonstrates good bench stability and ease of purification.

Synthesis

  • Route1

    References

    • Iida, Katsumi; Kajiwara, Masahiro Journal of Labelled Compounds and Radiopharmaceuticals, 2002 , vol. 45, # 2 p. 139 - 143
  • Route2
    • null|null
      140-88-5
    • ~53%
    • In-stock
      Ethyl 3-iodopropanoate|CS-W002223
      6414-69-3

    References

    • Campos, Pedro J.; Garcia, Barbara; Rodriguez, Miguel A. Tetrahedron Letters, 2002 , vol. 43, # 35 p. 6111 - 6112
  • Route3
    • null|null
      623-71-2
    • ~%
    • In-stock
      Ethyl 3-iodopropanoate|CS-W002223
      6414-69-3

    References

    • Journal of the Chemical Society - Perkin Transactions 1, , # 17 p. 2167 - 2172

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H318-H335-H402-H412
Precautionary Statements : P261-P264-P270-P271-P273-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   1.3746
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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