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CS-W001157 4
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Methyl 3-(1H-pyrrol-2-yl)propanoate

  • CAS No. 69917-80-2

  • Cat. No. CS-W008195
  • Purity≥97%
  • MDL No.None

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

Methyl 3-(1H-pyrrol-2-yl)propanoate|CS-W008195

Structure of 69917-80-2

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General Information

  • CAS No. 69917-80-2
  • Cat. No. CS-W008195
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₁NO₂
  • Molecular Weight 153.18
  • Synonym(s) Methyl-3-(2-pyrrolyl)propionate
  • SMILES O=C(OC)CCC1=CC=CN1

Description

Methyl 3-(1H-pyrrol-2-yl)propanoate features a pyrrole ring conjugated to an ester-functionalized aliphatic chain, enabling direct incorporation into heterocyclic frameworks. This bench-stable reagent integrates readily in transition-metal-catalyzed couplings and serves as a key building block for bioactive molecule synthesis.

Application

Methyl 3-(1H-pyrrol-2-yl)propanoate serves as a versatile building block for heterocyclic synthesis, enabling efficient access to pyrrole-fused scaffolds via standard coupling and cyclization protocols. The ester functionality offers facile manipulation under mild conditions, while the conjugated pyrrole moiety provides robust stability and compatibility with diverse functional groups. Its bench-stable nature and predictable reactivity make it ideal for medicinal chemistry campaigns requiring reliable construction of bioactive core structures.

Synthesis

  • Route1
    • Methyl (E)-3-(1H-pyrrol-2-yl)acrylate|CS-0451045
      32585-91-4
    • ~99%
    • In-stock
      Methyl 3-(1H-pyrrol-2-yl)propanoate|CS-W008195
      69917-80-2

    References

    • Hansen, Anna Mette; Sewell, Alan L.; Pedersen, Rasmus H.; Long, De-Liang; Gadegaard, Nikolaj; Marquez, Rodolfo Tetrahedron, 2013 , vol. 69, # 39 p. 8527 - 8533
  • Route2
    • null|null
      1017802-42-4
    • ~73%
    • In-stock
      Methyl 3-(1H-pyrrol-2-yl)propanoate|CS-W008195
      69917-80-2

    References

    • Zimmer, Reinhold; Collas, Markus; Czerwonka, Regina; Hain, Ute; Reissig, Hans-Ulrich Synthesis, 2008 , # 2 p. 237 - 244
  • Route3
    • null|null
      1190426-25-5
    • ~66%
    • In-stock
      Methyl 3-(1H-pyrrol-2-yl)propanoate|CS-W008195
      69917-80-2

    References

    • Garcia-Rubia, Alfonso; Urones, Beatriz; Arrayas, Ramon Gomez; Carretero, Juan Carlos Chemistry - A European Journal, 2010 , vol. 16, # 31 p. 9676 - 9685

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

Quality Control

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Computational Chemistry Data

  • TPSA   42.09
  • LogP   1.1203
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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