Cas no 74708-10-4 (C-Methylcalix4resorcinarene)

C-Methylcalix[4]resorcinarene is a macrocyclic compound belonging to the calixarene family, characterized by a methyl-substituted resorcinol-based structure. Its rigid, bowl-shaped cavity enables selective molecular recognition, making it valuable in host-guest chemistry and supramolecular applications. The compound exhibits high thermal and chemical stability, with tunable solubility depending on functionalization. Its ability to form stable complexes with ions and small molecules lends utility in sensor development, catalysis, and separation processes. The methyl groups enhance steric control, improving selectivity in binding interactions. C-Methylcalix[4]resorcinarene is often employed in research focused on molecular encapsulation, nanomaterials, and asymmetric synthesis due to its well-defined conformational properties.
C-Methylcalix4resorcinarene structure
C-Methylcalix4resorcinarene structure
Product Name:C-Methylcalix4resorcinarene
CAS No:74708-10-4
MF:C32H32O8
MW:544.591690063477
CID:557030
PubChem ID:3952517
Update Time:2025-05-26

C-Methylcalix4resorcinarene Chemical and Physical Properties

Names and Identifiers

    • Pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol,2,8,14,20-tetramethyl-, stereoisomer
    • C-Methylcalix[4]resorcinarene
    • Pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-do...
    • Pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-o
    • 2,2-bis(3',5'-dimethyl-4'-hydroxyphenyl)-propane
    • 4,4'-isoprop-2-ylideneb
    • 4,4'-propane-2,2-diylbis(2,6-dimethylphenol)
    • AG-F-96885
    • Phenol, 4,4'-(1-methylethylidene)bis(2,6-dimethyl-
    • r-2,c-8,t-14,t-20-tetramethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1-(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaen-4,6,10,12,16,18,22,24-octol
    • tetramethylcalixresorcin[4]arene
    • DTXSID40398195
    • Tetramethylcalix[4]resorcinolarene
    • MFCD00192281
    • GE-0001
    • 2,8,14,20-tetramethylpentacyclo[19.3.1.1^{3,7}.1^{9,13}.1^{15,19}]octacosa-1(25),3,5,7(28),9,11,13(27),15(26),16,18,21,23-dodecaen-4,6,10,12,16,18,22,24-octol
    • SCHEMBL14558122
    • AKOS016042541
    • 65338-98-9
    • J-200090
    • 2,4,6,8-Tetramethyl-1,3,5,7(1,3)-tetrabenzenacyclooctaphan-1(4),1(6),3(4),3(6),5(4),5(6),7(4),7(6)-octaol
    • C-METHYLCALIX(4)RESORCINARENE
    • SCHEMBL9908632
    • 2,8,14,20-Tetramethylcalix[4]resorcinarene
    • CS-0454611
    • F18042
    • 2,8,14,20-tetramethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol
    • 74708-10-4
    • C-Methylcalix4resorcinarene
    • Inchi: 1S/C32H32O8/c1-13-17-5-19(27(35)9-25(17)33)14(2)21-7-23(31(39)11-29(21)37)16(4)24-8-22(30(38)12-32(24)40)15(3)20-6-18(13)26(34)10-28(20)36/h5-16,33-40H,1-4H3
    • InChI Key: WGDNYTQTRISCMM-UHFFFAOYSA-N
    • SMILES: OC1=CC(=C2C=C1C(C)C1=C(C=C(C(=C1)C(C)C1=C(C=C(C(=C1)C(C)C1=C(C=C(C(=C1)C2C)O)O)O)O)O)O)O

Computed Properties

  • Exact Mass: 544.21
  • Monoisotopic Mass: 544.21
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 8
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 40
  • Rotatable Bond Count: 0
  • Complexity: 665
  • 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
  • Topological Polar Surface Area: 162A^2
  • XLogP3: 6.2

Experimental Properties

  • Density: 1.1759 (rough estimate)
  • Melting Point: >300?°C(lit.)
  • Boiling Point: 538.41°C (rough estimate)
  • Flash Point: 359.9oC
  • Refractive Index: 1.4900 (estimate)
  • LogP: 5.24160

C-Methylcalix4resorcinarene Security Information

  • WGK Germany:3
  • Safety Instruction: 22-24/25
  • FLUKA BRAND F CODES:3-8-10

C-Methylcalix4resorcinarene Pricemore >>

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Additional information on C-Methylcalix4resorcinarene

C-Methylcalix4resorcinarene: A Comprehensive Overview

C-Methylcalix4resorcinarene, also known by its CAS number 74708-10-4, is a fascinating compound that has garnered significant attention in the fields of chemistry and materials science. This compound belongs to the class of calixarenes, which are bowl-shaped macrocyclic polyphenols with unique structural and functional properties. The term calixarene itself is derived from the Latin word "calix," meaning goblet or chalice, reflecting its bowl-like structure.

The methyl substitution in C-Methylcalix4resorcinarene plays a crucial role in modulating its physical and chemical properties. This modification enhances the compound's stability and solubility, making it suitable for a wide range of applications. Recent studies have highlighted its potential in drug delivery systems, where its ability to encapsulate guest molecules has been exploited for targeted drug release mechanisms.

One of the most intriguing aspects of C-Methylcalix4resorcinarene is its versatility in self-assembly processes. Researchers have demonstrated that this compound can form supramolecular aggregates, which are highly ordered structures held together by non-covalent interactions such as hydrogen bonding and π-π stacking. These aggregates have shown promise in the development of advanced materials, including sensors and molecular recognition systems.

In terms of synthesis, C-Methylcalix4resorcinarene is typically prepared through a multi-step process involving nucleophilic aromatic substitution and subsequent cyclization reactions. The use of resorcinol derivatives as starting materials has been pivotal in achieving the desired macrocyclic structure. Recent advancements in catalytic methods have further streamlined the synthesis process, improving yield and purity.

The structural integrity of C-Methylcalix4resorcinarene is underpinned by its aromatic framework, which provides both rigidity and electronic functionality. This feature makes it an ideal candidate for applications in electronics, particularly in the design of organic semiconductors and optoelectronic devices. Emerging research has explored its potential as a building block for creating novel materials with tailored electronic properties.

Beyond its chemical applications, C-Methylcalix4resorcinarene has also found relevance in biological systems. Its ability to interact with biomolecules such as DNA and proteins has opened avenues for its use in bioanalytical chemistry and therapeutic delivery systems. For instance, studies have shown that it can act as a selective binding agent for certain metal ions, which could be harnessed for detoxification purposes or as contrast agents in medical imaging.

In conclusion, C-Methylcalix4resorcinarene stands out as a multifaceted compound with immense potential across diverse scientific domains. Its unique structural characteristics, coupled with recent advancements in synthetic methodologies and application-driven research, position it as a key player in the development of next-generation materials and technologies.

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