Cas no 119730-06-2 (5-(4-Methoxycarbonylphenyl)-10,15,20-triphenylporphyrin)

5-(4-Methoxycarbonylphenyl)-10,15,20-triphenylporphyrin is a functionalized porphyrin derivative featuring a methoxycarbonylphenyl group at the 5-position and phenyl substituents at the 10, 15, and 20-positions. This compound exhibits strong absorption in the visible region, making it suitable for applications in photodynamic therapy, organic electronics, and catalysis. The methoxycarbonyl group enhances solubility in organic solvents and provides a reactive handle for further chemical modifications. Its rigid porphyrin core ensures stability under various conditions, while the triphenyl substitution pattern contributes to tunable electronic properties. This compound is particularly valuable in research involving light-harvesting systems, sensor development, and as a precursor for metalloporphyrin synthesis.
5-(4-Methoxycarbonylphenyl)-10,15,20-triphenylporphyrin structure
119730-06-2 structure
Product Name:5-(4-Methoxycarbonylphenyl)-10,15,20-triphenylporphyrin
CAS No:119730-06-2
MF:C46H32N4O2
MW:672.771890640259
MDL:MFCD02093480
CID:132257
PubChem ID:87573294
Update Time:2025-10-13

5-(4-Methoxycarbonylphenyl)-10,15,20-triphenylporphyrin Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,4-(10,15,20-triphenyl-21H,23H-porphin-5-yl)-, methyl ester
    • 5-(4-Methoxycarbonylphenyl)-10,15,20-triphenylporphyrin
    • 5-(4-METHOXYCARBONYLPHENYL)-10,15,20-TRIPHENYL-21H,23H-PORPHINE
    • 5-(4-Carbomethoxyphenyl)-10,15,20-triphenylporphyrin
    • methyl 4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)benzoate
    • RARECHEM AS SA 0020
    • 5-(4-Methoxycarbonylphenyl)-10,15,20-triphenyl-21H
    • 5-(4-CARBOMETHOXYPHENYL)-10,15,20-TRIPHENYL-21H,23H-PORPHINE
    • 5-(4-Carbomethoxyphenyl)-10,15,20-triphenylporphyrin 5-(4-Methoxycarbonylphenyl)-10,15,20-triphenyl-21H,23H-porphine
    • Benzoic acid, 4-(10,15,20-triphenyl-21H,23H-porphin-5-yl)-, methyl ester
    • M1338
    • J1.981.522F
    • Benzoic
    • YSCH0242
    • BS-43855
    • AKOS015851371
    • 119730-06-2
    • T71627
    • CS-0086075
    • SCHEMBL3788647
    • MFCD02093480
    • AUUXSDUVWMAVMR-UHFFFAOYSA-N
    • methyl 4-{7,12,17-triphenyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3),?.1?,(1)(1).1(1)(3),(1)?]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl}benzoate
    • MDL: MFCD02093480
    • Inchi: 1S/C46H32N4O2/c1-52-46(51)33-19-17-32(18-20-33)45-40-27-25-38(49-40)43(30-13-7-3-8-14-30)36-23-21-34(47-36)42(29-11-5-2-6-12-29)35-22-24-37(48-35)44(31-15-9-4-10-16-31)39-26-28-41(45)50-39/h2-28,47,50H,1H3/b42-34-,42-35-,43-36-,43-38-,44-37-,44-39-,45-40-,45-41-
    • InChI Key: AUUXSDUVWMAVMR-HIXPDHBDSA-N
    • SMILES: O(C)C(C1C=CC(=CC=1)C1C2C=CC(=C(C3C=CC=CC=3)C3=CC=C(C(C4C=CC=CC=4)=C4C=CC(C(C5C=CC=CC=5)=C5C=CC=1N5)=N4)N3)N=2)=O |c:14,50,t:34,46|

Computed Properties

  • Exact Mass: 672.25300
  • Monoisotopic Mass: 672.25252628g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 52
  • Rotatable Bond Count: 6
  • Complexity: 1160
  • 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
  • Surface Charge: 0
  • Tautomer Count: 12
  • XLogP3: 10.3
  • Topological Polar Surface Area: 83.7

Experimental Properties

  • Color/Form: Dark blue dark purple crystal powder
  • Density: 1.3±0.1 g/cm3
  • Refractive Index: 1.685
  • PSA: 82.60000
  • LogP: 6.65280
  • Solubility: Not determined

5-(4-Methoxycarbonylphenyl)-10,15,20-triphenylporphyrin Security Information

5-(4-Methoxycarbonylphenyl)-10,15,20-triphenylporphyrin Pricemore >>

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Additional information on 5-(4-Methoxycarbonylphenyl)-10,15,20-triphenylporphyrin

Comprehensive Overview of 5-(4-Methoxycarbonylphenyl)-10,15,20-triphenylporphyrin (CAS No. 119730-06-2)

5-(4-Methoxycarbonylphenyl)-10,15,20-triphenylporphyrin (CAS No. 119730-06-2) is a highly specialized porphyrin derivative that has garnered significant attention in the fields of organic chemistry, materials science, and photodynamic therapy. This compound, characterized by its unique tetrapyrrole structure, is widely utilized in advanced research due to its exceptional photophysical properties and chemical stability. Its molecular architecture, featuring a methoxycarbonylphenyl group and three phenyl rings, makes it a versatile building block for designing functional materials.

In recent years, the demand for porphyrin-based compounds like 5-(4-Methoxycarbonylphenyl)-10,15,20-triphenylporphyrin has surged, driven by their applications in solar energy conversion, catalysis, and biomedical imaging. Researchers are particularly interested in its role as a photosensitizer, which is critical for photodynamic therapy (PDT)—a cutting-edge treatment for certain types of cancer. The compound's ability to generate reactive oxygen species (ROS) under light irradiation makes it a promising candidate for therapeutic applications.

The synthesis of 5-(4-Methoxycarbonylphenyl)-10,15,20-triphenylporphyrin typically involves condensation reactions of pyrrole derivatives with aromatic aldehydes, followed by purification steps to achieve high purity. Its CAS No. 119730-06-2 serves as a unique identifier in chemical databases, ensuring accurate referencing in academic and industrial research. The compound's UV-Vis absorption spectrum exhibits strong Soret and Q bands, which are characteristic of porphyrinoids and are essential for its functionality in light-harvesting systems.

One of the most searched topics related to this compound is its potential in artificial photosynthesis. With the global push toward sustainable energy solutions, scientists are exploring how porphyrin derivatives can mimic natural chlorophyll to capture and convert solar energy. 5-(4-Methoxycarbonylphenyl)-10,15,20-triphenylporphyrin is often studied for its electron-transfer properties, which are crucial for developing organic photovoltaics and dye-sensitized solar cells (DSSCs).

Another area of interest is the compound's use in supramolecular chemistry. Its planar structure and π-conjugated system enable it to form non-covalent interactions with other molecules, making it valuable for constructing molecular assemblies and nanostructures. These properties are particularly relevant in the design of sensors and drug delivery systems, where precise molecular recognition is required.

From a commercial perspective, 5-(4-Methoxycarbonylphenyl)-10,15,20-triphenylporphyrin is available through specialized chemical suppliers, often with custom synthesis options to meet specific research needs. Its high purity grade and batch-to-batch consistency are critical for reproducible results in experimental studies. Researchers frequently inquire about its solubility in common organic solvents, such as dichloromethane (DCM) and tetrahydrofuran (THF), which are essential for its handling and application.

In summary, 5-(4-Methoxycarbonylphenyl)-10,15,20-triphenylporphyrin (CAS No. 119730-06-2) stands out as a multifaceted compound with broad applicability in advanced materials and biomedical research. Its unique photochemical and structural features continue to inspire innovations across multiple scientific disciplines, aligning with contemporary trends in green chemistry and personalized medicine. As interest in functional organic molecules grows, this porphyrin derivative remains a cornerstone in the development of next-generation technologies.

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