Description

5,5′,5”-(((2,4,6-Trimethylbenzene-1,3,5-triyl)tris(methylene))tris(oxy))triisophthalic acid (CAS No. 1159974-70-5) is a high-purity, synthetic organic compound with the molecular formula C₃₆H₃₀O₁₅. This trifunctional aromatic carboxylic acid features a central 2,4,6-trimethylbenzene core symmetrically substituted with three isophthalic acid moieties via flexible methyleneoxy linkers. The compound’s unique star-shaped architecture and multiple carboxyl groups make it particularly valuable as a building block for metal-organic frameworks (MOFs), covalent organic frameworks (COFs), and other advanced porous materials. With three equivalent reactive sites, it serves as an excellent tridentate ligand for coordination chemistry and polymer synthesis. Offered as a white to off-white crystalline powder with ≥95% purity (HPLC), this product is ideal for researchers developing functional materials for gas storage, separation technologies, or heterogeneous catalysis applications.

Properties

• CAS Number: 1159974-70-5
• Complexity: 1050
• IUPAC Name: 5-[[3,5-bis[(3,5-dicarboxyphenoxy)methyl]-2,4,6-trimethyl-phenyl]methoxy]benzene-1,3-dicarboxylic acid
• InChI: InChI=1S/C36H30O15/c1-16-28(13-49-25-7-19(31(37)38)4-20(8-25)32(39)40)17(2)30(15-51-27-11-23(35(45)46)6-24(12-27)36(47)48)18(3)29(16)14-50-26-9-21(33(41)42)5-22(10-26)34(43)44/h4-12H,13-15H2,1-3H3,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48)
• InChI Key: MFCUYYDNBBTQKD-UHFFFAOYSA-N
• Exact Mass: 702.15847025
• Molecular Formula: C36H30O15
• Molecular Weight: 702.6
• SMILES: CC1=C(C(=C(C(=C1COC2=CC(=CC(=C2)C(=O)O)C(=O)O)C)COC3=CC(=CC(=C3)C(=O)O)C(=O)O)C)COC4=CC(=CC(=C4)C(=O)O)C(=O)O
• Topological: 251
• Monoisotopic Mass: 702.15847025
• Synonyms: 1159974-70-5, 5,5′,5”-(((2,4,6-Trimethylbenzene-1,3,5-triyl)tris(methylene))tris(oxy))triisophthalic acid, 5-[[3,5-bis[(3,5-dicarboxyphenoxy)methyl]-2,4,6-trimethylphenyl]methoxy]benzene-1,3-dicarboxylic acid, YSWG362, CS-0110052, H42479, 1,?3-?Benzenedicarboxylic acid, 5,?5′,?5”-?[(2,?4,?6-?trimethyl-?1,?3,?5-?benzenetriyl)?tris(methyleneoxy)?]?tris-, 1,3-Benzenedicarboxylic acid, 5,5′,5”-[(2,4,6-triMethyl-1,3,5-benzenetriyl)tris(Methyleneoxy)]tris-

Application

This compound serves as a key trifunctional linker in the synthesis of highly porous MOFs with potential applications in hydrogen storage and carbon capture. Its multiple carboxyl groups enable strong coordination to metal nodes, creating robust frameworks for selective gas adsorption materials. Researchers also utilize this building block to construct fluorescent sensors due to its conjugated aromatic system and chemical tunability. The compound’s thermal stability makes it suitable for developing high-temperature separation membranes and heterogeneous catalysts.

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