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CAS 136157-98-7

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O(1),O(3)-Bis(carboxymethyl)-O(2),O(4)-dimethyl-p-tert-butylcalix[4]arene

Description:
O(1),O(3)-Bis(carboxymethyl)-O(2),O(4)-dimethyl-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, which is a cyclic oligomer made up of phenolic units, providing a rigid and cavity-like structure. The presence of carboxymethyl groups at the O(1) and O(3) positions enhances its solubility in polar solvents and introduces potential for ionic interactions, making it useful in various applications, including ion recognition and separation processes. The dimethyl groups at the O(2) and O(4) positions contribute to the compound's hydrophobic character, while the tert-butyl group increases steric hindrance, influencing the compound's conformational flexibility. Overall, this compound exhibits properties that make it suitable for use in supramolecular chemistry, sensor development, and as a ligand in coordination chemistry. Its specific interactions with metal ions or small molecules can be tailored by modifying the substituents, allowing for a wide range of applications in chemical sensing and catalysis.
Formula:C50H64O8
InChI:InChI=1/C50H64O8/c1-47(2,3)37-19-29-15-33-23-39(49(7,8)9)25-35(45(33)57-27-41(51)52)17-31-21-38(48(4,5)6)22-32(44(31)56-14)18-36-26-40(50(10,11)12)24-34(46(36)58-28-42(53)54)16-30(20-37)43(29)55-13/h19-26H,15-18,27-28H2,1-14H3,(H,51,52)(H,53,54)
SMILES:CC(C)(C)c1cc2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc(c1)c2OC)c5OCC(=O)O)C(C)(C)C)c4OC)C(C)(C)C)c3OCC(=O)O)C(C)(C)C
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