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CS-W001157 4
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5-Methyl-1H-pyrrole-2-carbaldehyde

  • CAS No. 1192-79-6

  • Cat. No. CS-0038064
  • Molecule weight109.13
  • Purity≥98%
  • MDL No.MFCD08236773

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

5-Methyl-1H-pyrrole-2-carbaldehyde|CS-0038064

Structure of 1192-79-6

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General Information

  • CAS No. 1192-79-6
  • Cat. No. CS-0038064
  • Purity ≥98%
  • MDL No. MFCD08236773
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₇NO
  • Molecular Weight 109.13
  • Synonym(s) 1H-Pyrrole-2-carboxaldehyde,5-methyl
  • SMILES O=CC1=CC=C(C)N1

Description

5-Methyl-1H-pyrrole-2-carbaldehyde features a pyrrolic core with a methyl group at the 5-position and an aldehyde at the 2-position, delivering enhanced electron density for electrophilic coupling. This bench-stable scaffold integrates readily into heterocyclic syntheses, offering high reactivity in transition-metal-catalyzed transformations and serving as a key building block for bioactive nitrogen-containing compounds.

Application

5-Methyl-1H-pyrrole-2-carbaldehyde serves as a versatile building block in heterocyclic synthesis, enabling efficient access to functionalized pyrrole derivatives. Its aldehyde functionality facilitates nucleophilic additions and condensation reactions, while the methyl group enhances electronic modulation and metabolic stability. The compound exhibits good bench stability and is compatible with standard purification protocols, making it well-suited for medicinal chemistry campaigns and process development workflows.

Synthesis

  • Route1

    References

    • Bristol Myers Squibb Company Patent: US6982265 B1, 2006 ; Location in patent: Page/Page column 26 ;
  • Route2
    • In-stock
      2-Methyl-1H-pyrrole|CS-W011360
      636-41-9
    • null|null
      68-12-2
    • ~72%
    • In-stock
      5-Methyl-1H-pyrrole-2-carbaldehyde|CS-0038064
      1192-79-6

    References

    • Tomlinson, John T.; Park, Gyungse; Misenheimer, Jacob A.; Kucera, Gregory L.; Hesp, Kevin; Manderville, Richard A. Organic Letters, 2006 , vol. 8, # 21 p. 4951 - 4954
  • Route3

    References

    • Organic Letters, , vol. 8, # 21 p. 4951 - 4954

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 : 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   32.86
  • LogP   1.13562
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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