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1-Hydroxyhept-6-yn-3-one

  • CAS No. 1450754-40-1

  • Cat. No. CS-0038477
  • Purity≥95%
  • MDL No.MFCD29041964

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

1-Hydroxyhept-6-yn-3-one|CS-0038477

Structure of 1450754-40-1

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General Information

  • CAS No. 1450754-40-1
  • Cat. No. CS-0038477
  • Purity ≥95%
  • MDL No. MFCD29041964
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₀O₂
  • Molecular Weight 126.15
  • Synonym(s) 1-Hydroxy-6-heptyn-3-one
  • SMILES C#CCCC(=O)CCO

Description

1-Hydroxyhept-6-yn-3-one features a conjugated enyne–ketone motif enabling direct functionalization at the terminal alkyne and selective transformations at the carbonyl. This bifunctional scaffold supports efficient coupling reactions and serves as a key intermediate in complex molecule synthesis under standard conditions.

Application

1-Hydroxyhept-6-yn-3-one serves as a versatile synthetic intermediate featuring a conjugated alkyne and ketone functionality, enabling efficient access to diverse heterocyclic scaffolds. Its hydroxyl group facilitates protection or derivatization, while the terminal alkyne supports copper-catalyzed azide-alkyne cycloaddition (CuAAC) and other transition-metal-mediated transformations. The molecule exhibits good bench stability and compatibility with standard purification methods, making it well-suited for modular synthesis in medicinal chemistry and materials science applications.

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   37.3
  • LogP   0.3513
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   4

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