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CS-W001157 4
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4,6-Dimethyl-2,3-dihydro-1H-inden-1-one

  • CAS No. 1685-81-0

  • Cat. No. CS-0162697
  • Molecule weight160.21
  • Purity≥98%
  • MDL No.None

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

4,6-Dimethyl-2,3-dihydro-1H-inden-1-one|CS-0162697

Structure of 1685-81-0

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General Information

  • CAS No. 1685-81-0
  • Cat. No. CS-0162697
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂O
  • Molecular Weight 160.21
  • Synonym(s) 1H-inden-1-one, 2,3-dihydro-4,6-dimethyl-
  • SMILES O=C1CCC2=C1C=C(C)C=C2C

Description

4,6-Dimethyl-2,3-dihydro-1H-inden-1-one is a bench-stable, electron-rich indenone derivative featuring a fused bicyclic core with methyl groups at the 4- and 6-positions. This substitution pattern enhances regioselectivity in cycloaddition reactions and facilitates direct functionalization at the carbonyl-bearing carbon. The compound serves as a key scaffold for synthesizing complex polycyclic architectures in organic and medicinal chemistry.

Application

4,6-Dimethyl-2,3-dihydro-1H-inden-1-one serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted indane and indole scaffolds. Its conjugated enone system facilitates Michael additions, aldol reactions, and catalytic hydrogenation, while the methyl groups provide steric control and enhanced stability. The compound exhibits excellent bench stability, simplifying handling and purification in routine synthesis workflows.

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 : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.43234
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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