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

Name: 1,4-Bis(hydroxymethyl)bicyclo[2.2.2]octane
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CAS No. 826-45-9
Cat. No. CS-0042234
Purity≥97%
MDL No.MFCD17214576

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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1,4-Bis(hydroxymethyl)bicyclo[2.2.2]octane|CS-0042234

Structure of 826-45-9

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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.

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

Computational Chemistry Data

TPSA 40.46
LogP 1.3116
H_Acceptors 2
H_Donors 2
Rotatable_Bonds 2

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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Other Classifications

Building Blocks Skeleton Fatty ring compounds Cyclohexane compounds

Building Blocks Skeleton Bridge Rings compounds Other bridge ring compounds

Key Words

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

CAS No. 826-45-9

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