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1-Oxoisoindoline-5-carbaldehyde

  • CAS No. 926307-99-5

  • Cat. No. CS-0149698
  • Molecule weight161.16
  • Purity≥97%
  • MDL No.MFCD13177813

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

1-Oxoisoindoline-5-carbaldehyde|CS-0149698

Structure of 926307-99-5

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General Information

  • CAS No. 926307-99-5
  • Cat. No. CS-0149698
  • Purity ≥97%
  • MDL No. MFCD13177813
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇NO₂
  • Molecular Weight 161.16
  • Synonym(s) isoindoline-5-carbaldehyde
  • SMILES O=CC1=CC=2CNC(=O)C2C=C1

Description

1-Oxoisoindoline-5-carbaldehyde is a bench-stable heterocyclic aldehyde featuring a fused tricyclic core with a carbonyl at the 1-position and an aldehyde at the 5-position. This dual-functional moiety enables direct coupling in multistep synthesis, particularly for bioactive molecule scaffolds requiring rigid, electron-deficient platforms.

Application

1-Oxoisoindoline-5-carbaldehyde serves as a versatile building block in synthetic organic chemistry, enabling efficient access to isoindoline-based scaffolds prevalent in pharmaceutical intermediates. Its aldehyde functionality facilitates reductive amination, Grignard additions, and Wittig olefination reactions, while the adjacent ketone supports enolate formation for C–C bond construction. The molecule exhibits good bench stability and compatibility with common protecting group strategies, facilitating straightforward purification and integration into multi-step syntheses.

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

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Computational Chemistry Data

  • TPSA   46.17
  • LogP   0.7425
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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