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CS-W001157 4
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3-Methylisoindolin-1-one

  • CAS No. 6091-76-5

  • Cat. No. CS-0058508
  • Molecule weight147.17
  • Purity≥98%
  • MDL No.None

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

3-Methylisoindolin-1-one|CS-0058508

Structure of 6091-76-5

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General Information

  • CAS No. 6091-76-5
  • Cat. No. CS-0058508
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO
  • Molecular Weight 147.17
  • Synonym(s) 2,3-Dihydro-3-methyl-1H-isoindol-1-one
  • SMILES O=C1NC(C)C2=CC=CC=C21

Description

3-Methylisoindolin-1-one features a rigid, electron-deficient isoindolinone core with a methyl group at the 3-position, enhancing steric and electronic properties. This scaffold serves as a key building block in medicinal chemistry, particularly for kinase inhibitors and CNS-targeted therapeutics. The compound exhibits bench-stable handling characteristics and integrates readily into multi-step synthesis workflows.

Application

3-Methylisoindolin-1-one serves as a versatile building block in medicinal chemistry, enabling efficient access to biologically relevant heterocyclic scaffolds. Its stable, bench-ready structure facilitates diverse functionalizations at the C3 position and supports coupling reactions with minimal side-product formation. The ketone functionality offers direct handle for reductive amination, nucleophilic addition, and transition-metal-catalyzed transformations, making it a practical choice for API synthesis and library generation.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   29.1
  • LogP   1.491
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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