Cas no 141137-71-5 (4-Methyl-1-acetoxycalix6arene)

4-Methyl-1-acetoxycalix6arene is a synthetic aromatic compound characterized by its unique hexagonal calixarene structure. This compound exhibits high stability and solubility, making it suitable for a variety of applications in organic synthesis, materials science, and catalysis. Its distinct molecular architecture allows for efficient host-guest interactions, contributing to its potential in drug delivery systems and sensor development.
4-Methyl-1-acetoxycalix6arene structure
4-Methyl-1-acetoxycalix6arene structure
Product Name:4-Methyl-1-acetoxycalix6arene
CAS No:141137-71-5
MF:C60H60O12
MW:973.111218452454
MDL:MFCD00671543
CID:105823
PubChem ID:2762416
Update Time:2025-06-20

4-Methyl-1-acetoxycalix6arene Chemical and Physical Properties

Names and Identifiers

    • Heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-octadecaene-37,38,39,40,41,42-hexol,5,11,17,23,29,35-hexamethyl-, 37,38,39,40,41,42-hexaacetate
    • 4-METHYL-1-ACETOXYCALIX[6]ARENE
    • Heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15,...
    • Heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31
    • Hexaacetate p-methylcalix[6]arene
    • p-Methylhexaacetoxycalix[6]arene
    • (38,39,40,41,42-pentaacetyloxy-5,11,17,23,29,35-hexamethyl-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaenyl) acetate
    • 141137-71-5
    • AKOS015909556
    • FT-0618983
    • SCHEMBL9276839
    • MFCD00671543
    • DTXSID00376196
    • 4-Methyl-1-acetoxycalix6arene
    • MDL: MFCD00671543
    • Inchi: 1S/C60H60O12/c1-31-13-43-25-45-15-32(2)17-47(56(45)68-38(8)62)27-49-19-34(4)21-51(58(49)70-40(10)64)29-53-23-36(6)24-54(60(53)72-42(12)66)30-52-22-35(5)20-50(59(52)71-41(11)65)28-48-18-33(3)16-46(57(48)69-39(9)63)26-44(14-31)55(43)67-37(7)61/h13-24H,25-30H2,1-12H3
    • InChI Key: WOWRSSJEXBSVJD-UHFFFAOYSA-N
    • SMILES: O(C(C)=O)C1=C2C=C(C)C=C1CC1C=C(C)C=C(C=1OC(C)=O)CC1C=C(C)C=C(C=1OC(C)=O)CC1C=C(C)C=C(C=1OC(C)=O)CC1C=C(C)C=C(C=1OC(C)=O)CC1C=C(C)C=C(C=1OC(C)=O)C2

Computed Properties

  • Exact Mass: 972.40800
  • Monoisotopic Mass: 972.408
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 72
  • Rotatable Bond Count: 12
  • Complexity: 1470
  • 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: 12.2
  • Topological Polar Surface Area: 158?2

Experimental Properties

  • Density: 1.184
  • Boiling Point: 977.5°Cat760mmHg
  • Flash Point: 369°C
  • Refractive Index: 1.576
  • PSA: 157.80000
  • LogP: 10.94700

4-Methyl-1-acetoxycalix6arene Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB145934-100 mg
4-Methyl-1-acetoxycalixarene, mixture of [6] and [8] (contains 5-10% Acetone), 95%; .
141137-71-5 95%
100 mg
€72.50 2023-07-20
abcr
AB145934-1 g
4-Methyl-1-acetoxycalixarene, mixture of [6] and [8] (contains 5-10% Acetone), 95%; .
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AB145934-100mg
4-Methyl-1-acetoxycalixarene, mixture of [6] and [8] (contains 5-10% Acetone), 95%; .
141137-71-5 95%
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€72.50 2025-02-13
abcr
AB145934-1g
4-Methyl-1-acetoxycalixarene, mixture of [6] and [8] (contains 5-10% Acetone), 95%; .
141137-71-5 95%
1g
€294.00 2025-02-13

Additional information on 4-Methyl-1-acetoxycalix6arene

Professional Introduction to 4-Methyl-1-acetoxycalix6arene (CAS No. 141137-71-5)

4-Methyl-1-acetoxycalix6arene, with the chemical formula CAS No. 141137-71-5, is a highly specialized organic compound that has garnered significant attention in the field of supramolecular chemistry and pharmaceutical research. This unique macrocyclic compound belongs to the class of calixarenes, which are known for their remarkable structural and functional versatility. The presence of a methyl group at the 4-position and an acetoxyl group at the 1-position introduces specific chemical properties that make this compound particularly interesting for various applications.

The structure of 4-Methyl-1-acetoxycalix6arene consists of a cyclic array of six benzene units, with oxygen atoms connecting them at the upper and lower rims. This scaffold provides a platform for selective binding and interaction with a wide range of molecular targets. The acetoxyl group at the 1-position enhances the compound's ability to participate in hydrogen bonding and other forms of non-covalent interactions, making it an excellent candidate for drug design and molecular recognition studies.

In recent years, 4-Methyl-1-acetoxycalix6arene has been extensively studied for its potential applications in pharmaceuticals. Its macrocyclic structure allows it to encapsulate small molecules, making it useful as a carrier for drug delivery systems. This property is particularly valuable in the development of targeted therapies, where precise control over drug release is crucial. Additionally, the compound's ability to form stable inclusion complexes with various bioactive molecules has opened new avenues in the design of novel therapeutic agents.

One of the most compelling aspects of 4-Methyl-1-acetoxycalix6arene is its role in modulating biological processes. Research has shown that this compound can interact with biological targets such as enzymes and receptors, leading to potential therapeutic effects. For instance, studies have demonstrated its ability to inhibit certain enzymes involved in inflammatory pathways, suggesting its utility in developing anti-inflammatory drugs. Furthermore, its interaction with DNA and RNA has been explored, indicating potential applications in gene therapy and nucleic acid delivery.

The synthesis of 4-Methyl-1-acetoxycalix6arene is a complex process that requires precise control over reaction conditions. Traditional synthetic methods often involve multi-step reactions and require careful optimization to achieve high yields and purity. However, recent advancements in synthetic chemistry have led to more efficient routes for producing this compound. These improvements have not only made it more accessible but also opened new possibilities for further functionalization and derivatization.

The applications of 4-Methyl-1-acetoxycalix6arene extend beyond pharmaceuticals into other areas such as materials science and catalysis. Its unique structure makes it an excellent candidate for designing molecular sensors and catalysts. For example, it has been used to develop sensors that can detect specific analytes in environmental samples. Additionally, its ability to stabilize reactive intermediates has made it useful in catalytic processes where traditional catalysts may fail.

In conclusion, 4-Methyl-1-acetoxycalix6arene (CAS No. 141137-71-5) is a versatile and highly functional compound with significant potential in various fields. Its unique structural properties enable it to participate in complex molecular interactions, making it invaluable for drug design, molecular recognition, and materials science. As research continues to uncover new applications for this compound, its importance in advancing scientific and technological innovations is likely to grow even further.

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