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CS-W001157 4
Total: USD 88.00

3,7-Diethylnonane-4,6-dione

  • CAS No. 872802-98-7

  • Cat. No. CS-0102881
  • Purity≥97%
  • MDL No.None

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

3,7-Diethylnonane-4,6-dione|CS-0102881

Structure of 872802-98-7

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General Information

  • CAS No. 872802-98-7
  • Cat. No. CS-0102881
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₂₄O₂
  • Molecular Weight 212.33
  • Synonym(s) 3,7-Diethyl-4,6-nonanedione
  • SMILES CCC(CC)C(CC(C(CC)CC)=O)=O

Description

3,7-Diethylnonane-4,6-dione features a symmetric diketone framework with ethyl substituents at the 3 and 7 positions, enabling controlled enolization and serving as a key scaffold for cyclic and acyclic synthesis. The para-dicarbonyl arrangement facilitates metal coordination and cyclization reactions under mild conditions. This molecule exhibits enhanced solubility in organic solvents and stability under standard bench handling, making it suitable for iterative synthetic sequences in natural product and pharmaceutical development.

Application

3,7-Diethylnonane-4,6-dione serves as a versatile β-diketone building block for the synthesis of substituted pyrazoles and other heterocyclic scaffolds. Its well-defined enolizable α-positions facilitate metal-catalyzed cyclizations and condensation reactions, enabling efficient access to functionalized ring systems. The molecule exhibits bench stability and moderate solubility in common organic solvents, simplifying handling and purification in multi-step synthetic sequences.

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   3.3871
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   8

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