Cas no 1417713-93-9 (3,3',3''-(((2,4,6-Trimethylbenzene-1,3,5-triyl)tris(methylene))tris(oxy))tribenzoic acid)

3,3',3''-(((2,4,6-Trimethylbenzene-1,3,5-triyl)tris(methylene))tris(oxy))tribenzoic acid is a trifunctional aromatic carboxylic acid derivative featuring a central mesitylene core symmetrically linked to three benzoic acid groups via methyleneoxy bridges. This structure imparts rigidity and precise spatial arrangement, making it valuable as a building block in supramolecular chemistry, metal-organic frameworks (MOFs), and polymer synthesis. The compound’s three carboxylate groups enable strong coordination with metal ions, facilitating the design of tailored coordination networks. Its high symmetry and functional group density also support applications in dendrimer synthesis and crosslinking agents. The product exhibits stability under standard conditions and is compatible with organic synthesis protocols, offering versatility in advanced material development.
3,3',3''-(((2,4,6-Trimethylbenzene-1,3,5-triyl)tris(methylene))tris(oxy))tribenzoic acid structure
1417713-93-9 structure
Product Name:3,3',3''-(((2,4,6-Trimethylbenzene-1,3,5-triyl)tris(methylene))tris(oxy))tribenzoic acid
CAS No:1417713-93-9
MF:C33H30O9
MW:570.5859
CID:3036719
PubChem ID:91810419
Update Time:2025-06-26

3,3',3''-(((2,4,6-Trimethylbenzene-1,3,5-triyl)tris(methylene))tris(oxy))tribenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 3,3',3''-(((2,4,6-trimethylbenzene-1,3,5-triyl)tris(methylene))tris(oxy))tribenzoicacid
    • ML01054
    • 3-[[3,5-bis[(3-carboxyphenoxy)methyl]-2,4,6-trimethylphenyl]methoxy]benzoic acid
    • 3,3',3''-(2,4,6-Trimethylbenzene-1,3,5-triyl)tris(methyleneoxy)trisbenzoic acid
    • 3,3',3''-(((2,4,6-Trimethylbenzene-1,3,5-triyl)tris(methylene))tris(oxy))tribenzoic acid
    • CID 91810419
    • YSWG390
    • Benzoic acid, 3,?3',?3''-?[(2,?4,?6-?trimethyl-?1,?3,?5-?benzenetriyl)?tris(methyleneoxy)?]?tris-
    • CS-0110057
    • F76044
    • BS-51940
    • 1417713-93-9
    • 3-{[3,5-bis(3-carboxyphenoxymethyl)-2,4,6-trimethylphenyl]methoxy}benzoic acid
    • Inchi: 1S/C33H30O9/c1-19-28(16-40-25-10-4-7-22(13-25)31(34)35)20(2)30(18-42-27-12-6-9-24(15-27)33(38)39)21(3)29(19)17-41-26-11-5-8-23(14-26)32(36)37/h4-15H,16-18H2,1-3H3,(H,34,35)(H,36,37)(H,38,39)
    • InChI Key: OXBIDZVLELTOEU-UHFFFAOYSA-N
    • SMILES: O(C1=C([H])C([H])=C([H])C(C(=O)O[H])=C1[H])C([H])([H])C1C(C([H])([H])[H])=C(C([H])([H])OC2=C([H])C([H])=C([H])C(C(=O)O[H])=C2[H])C(C([H])([H])[H])=C(C([H])([H])OC2=C([H])C([H])=C([H])C(C(=O)O[H])=C2[H])C=1C([H])([H])[H]

Computed Properties

  • Exact Mass: 570.18898253 g/mol
  • Monoisotopic Mass: 570.18898253 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 42
  • Rotatable Bond Count: 12
  • Complexity: 776
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 6
  • Topological Polar Surface Area: 140
  • Molecular Weight: 570.6

3,3',3''-(((2,4,6-Trimethylbenzene-1,3,5-triyl)tris(methylene))tris(oxy))tribenzoic acid Pricemore >>

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Additional information on 3,3',3''-(((2,4,6-Trimethylbenzene-1,3,5-triyl)tris(methylene))tris(oxy))tribenzoic acid

3,3',3''-(((2,4,6-Trimethylbenzene-1,3,5-triyl)tris(methylene))tris(oxy))tribenzoic Acid: A Comprehensive Overview

The compound 3,3',3''-(((2,4,6-Trimethylbenzene-1,3,5-triyl)tris(methylene))tris(oxy))tribenzoic acid, identified by the CAS number 1417713-93-9, is a highly specialized organic compound with a complex structure. This compound belongs to the class of benzoic acids and is characterized by its unique trimeric structure. The molecule consists of three benzoic acid groups connected through a central triphenylene core. The presence of multiple methylene and oxy groups further enhances its structural complexity and functional diversity.

The synthesis of this compound involves a multi-step process that typically includes the functionalization of the triphenylene core followed by the introduction of benzoic acid groups. Recent advancements in synthetic chemistry have enabled researchers to optimize the synthesis pathway, improving both yield and purity. These improvements are particularly significant for applications requiring high-purity compounds.

One of the most notable features of this compound is its potential in material science. The trimeric structure and the presence of multiple functional groups make it an excellent candidate for use in polymer chemistry. Researchers have explored its ability to form cross-linked polymers with unique mechanical and thermal properties. For instance, studies have shown that polymers derived from this compound exhibit enhanced tensile strength and thermal stability compared to conventional polymers.

In addition to its role in polymer chemistry, this compound has also found applications in drug delivery systems. The benzoic acid groups can be modified to serve as drug carriers or targeting moieties. Recent research has focused on its ability to encapsulate hydrophobic drugs, enhancing their solubility and bioavailability. This property makes it a promising candidate for developing novel drug delivery systems.

The chemical stability of this compound is another area of interest for researchers. Studies have demonstrated that it exhibits excellent stability under various environmental conditions, including exposure to heat and light. This stability is attributed to the aromaticity of the triphenylene core and the electron-withdrawing effects of the benzoic acid groups.

From an environmental perspective, understanding the biodegradation pathways of this compound is crucial for assessing its environmental impact. Recent studies have explored its degradation under aerobic and anaerobic conditions. These studies have provided valuable insights into its persistence in different ecosystems and have informed strategies for minimizing its environmental footprint.

In conclusion, 3,3',3''-(((2,4,6-Trimethylbenzene-1,3,5-triyl)tris(methylene))tris(oxy))tribenzoic acid (CAS No.: 1417713-93-9) is a versatile compound with a wide range of applications across various fields. Its unique structure and functional groups make it an invaluable tool in material science and drug delivery systems. As research continues to uncover new properties and applications of this compound, it is expected to play an increasingly important role in both academic and industrial settings.

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