Description

Diethyl bicyclo[2.2.2]octane-1,4-dicarboxylate (CAS No. 1659-75-2) is a high-purity organic compound with the molecular formula C₁₄H₂₂O₄. This bicyclic diester features a rigid bicyclo[2.2.2]octane core, making it a valuable building block for synthetic organic chemistry and materials science applications. The compound is characterized by its two ester functional groups at the 1- and 4-positions, offering versatile reactivity for further derivatization.

Our product is synthesized under strict quality control measures to ensure exceptional purity (>98%) and consistency, as verified by GC-MS and NMR analysis. Supplied as a clear, colorless to pale yellow liquid, it is packaged under inert atmosphere to maintain stability. Ideal for researchers developing novel polymers, ligands, or pharmaceutical intermediates, this compound’s unique steric and electronic properties enable exploration of constrained molecular architectures.

Key specifications:
– Molecular Weight: 254.32 g/mol
– Boiling Point: ~320°C (predicted)
– Density: ~1.08 g/cm³ (estimated)
– Storage: 2-8°C under argon
– Hazard: Irritant (GHS07)

Properties

• CAS Number: 1659-75-2
• Complexity: 289
• IUPAC Name: diethyl bicyclo[2.2.2]octane-1,4-dicarboxylate
• InChI: InChI=1S/C14H22O4/c1-3-17-11(15)13-5-8-14(9-6-13,10-7-13)12(16)18-4-2/h3-10H2,1-2H3
• InChI Key: WHIYNXJTNHXZES-UHFFFAOYSA-N
• Exact Mass: 254.15180918
• Molecular Formula: C14H22O4
• Molecular Weight: 254.32
• SMILES: CCOC(=O)C12CCC(CC1)(CC2)C(=O)OCC
• Topological: 52.6
• Monoisotopic Mass: 254.15180918
• Synonyms: Diethyl bicyclo[2.2.2]octane-1,4-dicarboxylate, 1659-75-2, Diethylbicyclo[2.2.2]octane-1,4-dicarboxylate, SCHEMBL17893420, DTXSID50511676, DB-360244, CS-0375679, EN300-52352, 1,4-DIETHYL BICYCLO[2.2.2]OCTANE-1,4-DICARBOXYLATE

Application

Diethyl bicyclo[2.2.2]octane-1,4-dicarboxylate serves as a versatile intermediate in organic synthesis, particularly for constructing rigid, three-dimensional molecular scaffolds. Researchers utilize this compound in developing novel metal-organic frameworks (MOFs) due to its ability to impart structural rigidity. The ester groups can be selectively reduced or hydrolyzed to create functionalized bicyclic building blocks for pharmaceutical research. Additionally, its constrained geometry makes it valuable for studying steric effects in catalytic systems and polymer cross-linking applications.

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