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CS-W001157 4
Total: USD 88.00

1,4-Bis(hydroxymethyl)bicyclo[2.2.2]octane

  • CAS No. 826-45-9

  • Cat. No. CS-0042234
  • Purity≥97%
  • MDL No.MFCD17214576

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

1,4-Bis(hydroxymethyl)bicyclo[2.2.2]octane|CS-0042234

Structure of 826-45-9

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General Information

  • CAS No. 826-45-9
  • Cat. No. CS-0042234
  • Purity ≥97%
  • MDL No. MFCD17214576
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₈O₂
  • Molecular Weight 170.25
  • Synonym(s) Bicyclo[2.2.2]octane-1,4-diyldimethanol
  • SMILES OCC12CCC(CC2)(CO)CC1

Description

1,4-Bis(hydroxymethyl)bicyclo[2.2.2]octane offers a rigid, symmetric scaffold with two primary hydroxyl groups positioned at the bridgehead carbons. This configuration enables precise spatial control in molecular design, facilitating efficient coupling reactions and enhancing solubility in polar solvents. The molecule exhibits excellent bench stability and serves as a robust platform for constructing complex architectures in synthetic organic chemistry and materials science applications.

Application

1,4-Bis(hydroxymethyl)bicyclo[2.2.2]octane serves as a rigid, bicyclic scaffold with two pendant primary hydroxyl groups, enabling selective functionalization in synthetic sequences. Its stability under standard reaction conditions and orthogonal reactivity of the hydroxymethyl moieties facilitate efficient derivatization for applications in medicinal chemistry and catalytic ligand design. The molecule functions as a versatile building block for constructing complex molecular architectures with defined spatial orientation.

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   40.46
  • LogP   1.3116
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   2

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