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CAS 97600-49-2

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O(1),O(3)-Bis(ethoxycarbonylmethyl)-p-tert-butylcalix[4]arene

Description:
O(1),O(3)-Bis(ethoxycarbonylmethyl)-p-tert-butylcalix[4]arene is a calixarene derivative characterized by its unique structural features and functional groups. This compound consists of a calixarene framework, specifically a calix[4]arene, which is a cyclic oligomer made up of four phenolic units. The presence of tert-butyl groups enhances its solubility and steric bulk, making it useful in various applications. The ethoxycarbonylmethyl substituents at the O(1) and O(3) positions introduce polar functional groups that can participate in hydrogen bonding and enhance the compound's reactivity. This structure allows for potential applications in supramolecular chemistry, such as host-guest chemistry, where it can selectively bind ions or small molecules. Additionally, the compound's properties may include good thermal stability and solubility in organic solvents, making it suitable for various chemical processes. Overall, its unique architecture and functionalization contribute to its potential utility in materials science and organic synthesis.
Formula:C52H68O8
InChI:InChI=1/C52H68O8/c1-15-57-43(53)29-59-47-35-17-31-21-39(49(3,4)5)23-33(45(31)55)19-37-27-42(52(12,13)14)28-38(48(37)60-30-44(54)58-16-2)20-34-24-40(50(6,7)8)22-32(46(34)56)18-36(47)26-41(25-35)51(9,10)11/h21-28,55-56H,15-20,29-30H2,1-14H3
SMILES:CCOC(=O)COc1c2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc1cc(c2)C(C)(C)C)c5O)C(C)(C)C)c4OCC(=O)OCC)C(C)(C)C)c3O)C(C)(C)C
Synonyms:
  • Diethyl 2,2'-{[5,11,17,23-Tetra-Tert-Butyl-26,28-Dihydroxypentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]Octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-Dodecaene-25,27-Diyl]Bis(Oxy)}Diacetate
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