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Methyl 3-chloropropanoate

  • CAS No. 6001-87-2

  • Cat. No. CS-0131786
  • Purity≥98%
  • MDL No.MFCD00039381

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

Methyl 3-chloropropanoate|CS-0131786

Structure of 6001-87-2

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General Information

  • CAS No. 6001-87-2
  • Cat. No. CS-0131786
  • Purity ≥98%
  • MDL No. MFCD00039381
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₇ClO₂
  • Molecular Weight 122.55
  • Synonym(s) Propanoic acid, 3-chloro-, methyl ester
  • SMILES O=C(OC)CCCl

Description

Methyl 3-chloropropanoate is a reactive ester featuring a chlorinated aliphatic chain, enabling direct functionalization at the β-position. This bench-stable reagent integrates readily into synthetic sequences requiring electrophilic alkylating agents or serves as a precursor for heterocyclic ring systems.

Application

Methyl 3-chloropropanoate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to γ-chloroester functionalities. Its reactive chloromethyl group facilitates nucleophilic substitution and subsequent transformations, including ring formation and heterocycle synthesis. The compound exhibits good bench stability and is compatible with common protecting group strategies, making it valuable for medicinal chemistry and process-scale applications.

Synthesis

  • Route1

    References

    • ChemSusChem, , vol. 6, # 12 p. 2255 - 2258
  • Route2
    • null|null
      67-56-1
    • null|null
      625-36-5
    • ~62%
    • In-stock
      Methyl 3-chloropropanoate|CS-0131786
      6001-87-2

    References

    • AUSPEX PHARMACEUTICALS, INC. Patent: US2009/209550 A1, 2009 ; Location in patent: Page/Page column 29 ;
  • Route3
    • null|null
      292638-85-8
    • ~58%
    • In-stock
      Methyl 3-chloropropanoate|CS-0131786
      6001-87-2

    References

    • Morugova; Gushchin; Skvortsov; Moiseev Russian Journal of General Chemistry, 2006 , vol. 76, # 5 p. 747 - 752

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS05
Signal Word : Danger
UN#: 1760
Class : 8
Packing Group : Ⅲ
Hazard Statements : H226-H315-H318-H335
Precautionary Statements : P210-P240-P241-P280-P370+P378

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   0.7883
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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