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4-Hydroxy-4-(6-methoxynaphthalen-2-yl)butan-2-one

  • CAS No. 98386-83-5

  • Cat. No. CS-0571828
  • Purity≥95%
  • MDL No.None

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

4-Hydroxy-4-(6-methoxynaphthalen-2-yl)butan-2-one|CS-0571828

Structure of 98386-83-5

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General Information

  • CAS No. 98386-83-5
  • Cat. No. CS-0571828
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₆O₃
  • Molecular Weight 244.29
  • Synonym(s) 2-Butanone, 4-hydroxy-4-(6-methoxy-2-naphthalenyl)-
  • SMILES CC(=O)CC(C1=CC2=C(C=C1)C=C(C=C2)OC)O

Description

This hydroxyketone features a conjugated system linking a 6-methoxynaphthalene unit to a β-hydroxy carbonyl scaffold, enabling direct integration into complex molecular architectures. The electron-rich naphthyl moiety enhances π-stacking potential, while the pendant hydroxyl group facilitates hydrogen bonding and derivatization under standard conditions.

Application

4-Hydroxy-4-(6-methoxynaphthalen-2-yl)butan-2-one serves as a versatile building block for constructing complex heterocyclic scaffolds and bioactive molecules. Its α-hydroxy ketone functionality enables facile cyclization, enolization, and conjugate addition reactions, while the naphthalene core provides structural rigidity and π-stacking potential. The molecule exhibits good bench stability and facilitates straightforward purification, making it well-suited for iterative synthesis in medicinal chemistry and process development 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   46.53
  • LogP   2.8609
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   4

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