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CS-W001157 4
Total: USD 88.00

Octahydrocoumarin

  • CAS No. 4430-31-3

  • Cat. No. CS-0063175
  • Purity≥95%
  • MDL No.MFCD00221714

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

Octahydrocoumarin|CS-0063175

Structure of 4430-31-3

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General Information

  • CAS No. 4430-31-3
  • Cat. No. CS-0063175
  • Purity ≥95%
  • MDL No. MFCD00221714
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₄O₂
  • Molecular Weight 154.21
  • Synonym(s) Octahydro-2H-Chromen-2-One
  • SMILES O=C1OC2CCCCC2CC1

Description

Octahydro-2H-chromen-2-one is a saturated chromanone derivative featuring a stable, bench-stable carbonyl group within a fully hydrogenated ring system. This rigid, electron-deficient scaffold integrates readily into synthetic sequences requiring hydrophobic, conformationally constrained intermediates.

Application

Octahydro-2H-chromen-2-one serves as a versatile bicyclic scaffold for medicinal chemistry and natural product synthesis. Its saturated chroman core exhibits excellent bench stability and functional group tolerance, enabling reliable transformations in reductive amination, nucleophilic substitution, and coupling reactions. The ketone functionality facilitates selective derivatization, while the rigid framework supports conformational control in target-oriented synthesis.

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   26.3
  • LogP   1.8822
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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