Description

4,5-Bis-tert-butyloxycarbonyl[1,4,5]oxadiazepane (CAS No. 243973-69-5) is a high-purity, synthetic organic compound with the molecular formula C₁₄H₂₆N₂O₅. This specialized chemical features a unique 1,4,5-oxadiazepane core structure, protected by two tert-butyloxycarbonyl (Boc) groups, making it a valuable intermediate in organic synthesis and pharmaceutical research. With a molecular weight of 302.37 g/mol, this compound is characterized by its stability under standard conditions and compatibility with a wide range of reaction conditions. Ideal for researchers in medicinal chemistry and drug development, this product is rigorously tested for purity and consistency, ensuring reliable performance in complex synthetic pathways. Available in various quantities to suit laboratory-scale and industrial applications.

Properties

• CAS Number: 243973-69-5
• Complexity: 348
• IUPAC Name: ditert-butyl 1,4,5-oxadiazepane-4,5-dicarboxylate
• InChI: InChI=1S/C14H26N2O5/c1-13(2,3)20-11(17)15-7-9-19-10-8-16(15)12(18)21-14(4,5)6/h7-10H2,1-6H3
• InChI Key: IOJNWYJYJHXUNU-UHFFFAOYSA-N
• Exact Mass: 302.18417193
• Molecular Formula: C14H26N2O5
• Molecular Weight: 302.37
• SMILES: CC(C)(C)OC(=O)N1CCOCCN1C(=O)OC(C)(C)C
• Topological: 68.3
• Monoisotopic Mass: 302.18417193
• Synonyms: 243973-69-5, Di-tert-butyl 1,4,5-oxadiazepane-4,5-dicarboxylate, 4,5-bis-tert-butyloxycarbonyl[1,4,5]oxadiazepane, ditert-butyl 1,4,5-oxadiazepane-4,5-dicarboxylate, MFCD30481329, SCHEMBL12774623, AKOS040768419, BS-45792, DB-400811, CS-0162815, E75068, Di-tert-butyl1,4,5-oxadiazepane-4,5-dicarboxylate

Application

4,5-Bis-tert-butyloxycarbonyl[1,4,5]oxadiazepane is primarily used as a protected intermediate in the synthesis of heterocyclic compounds and peptidomimetics. Its Boc-protected groups facilitate selective deprotection strategies, enabling controlled functionalization in multi-step organic reactions. This compound is particularly valuable in medicinal chemistry for the development of novel pharmacophores targeting neurological and cardiovascular diseases. Researchers also utilize it in the preparation of macrocyclic ligands and as a scaffold for constructing complex molecular architectures.

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