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CS-W001157 4
Total: USD 88.00

3-Acetylpyrrole

  • CAS No. 1072-82-8

  • Cat. No. CS-W005542
  • Purity≥98%
  • MDL No.MFCD00067759

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

3-Acetylpyrrole|CS-W005542

Structure of 1072-82-8

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General Information

  • CAS No. 1072-82-8
  • Cat. No. CS-W005542
  • Purity ≥98%
  • MDL No. MFCD00067759
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₇NO
  • Molecular Weight 109.13
  • Synonym(s) Methyl3-pyrrolylketone
  • SMILES O=C(C1=CNC=C1)C

Description

3-Acetylpyrrole serves as a key heterocyclic scaffold in synthetic organic chemistry, featuring a pyrrole ring with an acetyl group at the 3-position. This functionalization enhances electrophilic reactivity while maintaining stability under standard conditions. The compound integrates readily into pharmaceutical intermediates and advanced materials due to its electron-rich nature and compatibility with diverse coupling reactions.

Application

3-Acetylpyrrole serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted pyrrole derivatives through electrophilic substitution and condensation reactions. Its acetyl group provides a handle for further functionalization via Claisen-type condensations or oxidation to carboxylic acid intermediates. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for medicinal chemistry campaigns and API precursor development.

Synthesis

  • Route1
    • 3-Acetyl-1-(phenylsulfonyl)pyrrole|CS-0204548
      81453-98-7
    • ~98%
    • In-stock
      3-Acetylpyrrole|CS-W005542
      1072-82-8

    References

    • Cadamuro, Silvano; Degani, Iacopo; Dughera, Stefano; Fochi, Rita; Gatti, Antonella; Piscopo, Laura Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1993 , # 2 p. 273 - 284
  • Route2
    • null|null
      111468-98-5
    • ~74%
    • In-stock
      3-Acetylpyrrole|CS-W005542
      1072-82-8

    References

    • Garrido, Daniel O. A.; Buldain, Graciela; Ojea, Maria I.; Frydman, Benjamin Journal of Organic Chemistry, 1988 , vol. 53, # 2 p. 403 - 407
  • Route3
    • In-stock
      4-Acetyl-1H-pyrrole-2-carboxylic acid|CS-0308996
      16168-93-7
    • ~81%
    • In-stock
      3-Acetylpyrrole|CS-W005542
      1072-82-8
    • null|null
      124-38-9

    References

    • Anderson, Hugh J.; Clase, J. Andrew; Loader, Charles E. Synthetic Communications, 1987 , vol. 17, # 4 p. 401 - 408

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-H319
Precautionary Statements : P264-P270-P280-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   32.86
  • LogP   1.2173
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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