Cas no 29412-62-2 (dimethyl cubane-1,4-dicarboxylate)

Dimethyl cubane-1,4-dicarboxylate is a high-energy, strained hydrocarbon derivative featuring a rigid cubane core functionalized with ester groups at the 1 and 4 positions. Its unique cubic structure imparts exceptional thermal stability and density, making it valuable in advanced materials research, energetic compounds, and pharmaceutical intermediates. The ester groups enhance solubility in organic solvents, facilitating further synthetic modifications. Due to its strained geometry, the compound exhibits high reactivity in controlled transformations, serving as a precursor for novel polymers, ligands, and bioactive molecules. Its well-defined symmetry and stability under moderate conditions make it a promising candidate for specialized applications in supramolecular chemistry and materials science.
dimethyl cubane-1,4-dicarboxylate structure
29412-62-2 structure
Product Name:dimethyl cubane-1,4-dicarboxylate
CAS No:29412-62-2
MF:C12H12O4
MW:220.221283912659
MDL:MFCD29060101
CID:53472
PubChem ID:141480
Update Time:2025-06-09

dimethyl cubane-1,4-dicarboxylate Chemical and Physical Properties

Names and Identifiers

    • Dimethyl 1,4-cubanedicarboxylate
    • dimethyl cubane-1,4-dicarboxylate
    • 1,4-cubanedicarboxylic acid dimethyl ester
    • 1,4-dicarbomethoxycubane
    • BM440
    • Cubane-1,4-dicarboylic acid dimethyl ester
    • 1,4-Bis(methoxycarbonyl)cubane
    • Cubane-1,4-dicarboxylic Acid Dimethyl Ester
    • 1,8-DIMETHYL CUBANE-1,8-DICARBOXYLATE
    • OXBMFCGRQJNAOY-UHFFFAOYSA-N
    • ZXBA000359
    • dimethyl cubane-1,4- dicarboxylate
    • NSC124104
    • CD0165
    • DIMETHYL1,4-CUBANEDICARBOXYLATE
    • TRA0038534
    • AMY37355
    • FT-0689544
    • SCHEMBL352325
    • GS-8000
    • F19635
    • DTXSID50183630
    • dimethyl pentacyclo [4.2.0.02,5.03,8.04,7]octane-1,4-dicarboxylate
    • Pentacyclo[4.2.0.02,5.03,8.04,7]octane-1,4-dicarboxylicacid, 1,4-dimethyl ester;Dimethyl cubane-1,4-dicarboxylate
    • D5542
    • 29412-62-2
    • NSC 124104
    • EN300-156445
    • D-4690
    • dimethylcubane-1,4-dicarboxylate
    • NSC-124104
    • A819887
    • Pentacyclo[4.2.0.02,5.03,8.04,7]octane-1,4-dicarboxylic acid, 1,4-dimethyl ester
    • AKOS015851360
    • MFCD29060101
    • CS-W001051
    • DB-009216
    • SY074743
    • MDL: MFCD29060101
    • Inchi: 1S/C12H12O4/c1-15-9(13)11-3-6-4(11)8-5(11)7(3)12(6,8)10(14)16-2/h3-8H,1-2H3
    • InChI Key: OXBMFCGRQJNAOY-UHFFFAOYSA-N
    • SMILES: O(C)C(C12C3C4C1C1C2C3C14C(=O)OC)=O

Computed Properties

  • Exact Mass: 220.07400
  • Monoisotopic Mass: 220.07355886g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 382
  • 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: nothing
  • XLogP3: 0
  • Topological Polar Surface Area: 52.6

Experimental Properties

  • Density: 1.0863 (rough estimate)
  • Melting Point: 163.0 to 167.0 deg-C
  • Boiling Point: 270.0±20.0°C at 760 mmHg
  • Flash Point: 131.3±20.2 °C
  • Refractive Index: 1.4270 (estimate)
  • PSA: 52.60000
  • LogP: 0.07040
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

dimethyl cubane-1,4-dicarboxylate Security Information

dimethyl cubane-1,4-dicarboxylate Customs Data

  • HS CODE:29172090

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dimethyl cubane-1,4-dicarboxylate Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:29412-62-2)dimethyl cubane-1,4-dicarboxylate
Order Number:A819887
Stock Status:in Stock
Quantity:5g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:09
Price ($):481.0

dimethyl cubane-1,4-dicarboxylate Related Literature

Additional information on dimethyl cubane-1,4-dicarboxylate

Dimethyl Cubane-1,4-Dicarboxylate (CAS No. 29412-62-2): A Comprehensive Overview

Dimethyl cubane-1,4-dicarboxylate, identified by the chemical compound code CAS No. 29412-62-2, is a novel organic compound that has garnered significant attention in the field of medicinal chemistry and materials science. This compound, characterized by its unique cubic backbone structure, exhibits a range of intriguing chemical and biological properties that make it a promising candidate for various applications. The cubane core, a highly strained hydrocarbon framework, imparts exceptional stability and reactivity, which are leveraged in the design of advanced materials and pharmaceuticals.

The structural uniqueness of dimethyl cubane-1,4-dicarboxylate arises from its cubic geometry, where each vertex of the cube is occupied by a carbon atom. This arrangement results in a highly symmetrical and rigid structure, which is uncommon in organic chemistry. The presence of two carboxylate groups at the 1 and 4 positions further enhances its versatility, allowing for various functionalization strategies. These features have made this compound an attractive scaffold for the development of novel drug candidates and high-performance materials.

In recent years, significant research has been conducted to explore the potential applications of dimethyl cubane-1,4-dicarboxylate in medicinal chemistry. One of the most promising areas is its use as a building block for the synthesis of bioactive molecules. The cubic structure provides a stable platform for the attachment of pharmacophores, enabling the design of compounds with enhanced binding affinity and selectivity. For instance, studies have shown that derivatives of this compound exhibit potent activity against various biological targets, including enzymes and receptors involved in inflammatory and infectious diseases.

The reactivity of the cubane core has also been exploited in materials science applications. The high strain energy stored within the cubic framework makes it an excellent precursor for generating highly energetic materials or for use in catalytic processes. Researchers have demonstrated that controlled decomposition of dimethyl cubane-1,4-dicarboxylate can produce fine particles with tailored properties, making it suitable for applications in coatings, adhesives, and advanced composites. Additionally, the compound's stability under extreme conditions has led to investigations into its use as a high-energy density material for propulsion systems.

The synthesis of dimethyl cubane-1,4-dicarboxylate presents unique challenges due to the complexity of the cubic structure. Traditional synthetic routes often require multi-step processes involving sophisticated catalysts and reaction conditions. However, recent advancements in organic synthesis have made it possible to access this compound more efficiently. For example, transition-metal-catalyzed reactions have been employed to facilitate the formation of new carbon-carbon bonds within the cubic framework. These innovations have not only improved yields but also opened up new avenues for structural diversification.

In conclusion, dimethyl cubane-1,4-dicarboxylate (CAS No. 29412-62-2) is a multifaceted compound with significant potential in both pharmaceuticals and materials science. Its unique cubic structure and functionalizable carboxylate groups make it an invaluable scaffold for drug discovery and material development. As research continues to uncover new synthetic strategies and applications, this compound is poised to play a crucial role in advancing scientific and technological innovation.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:29412-62-2)dimethyl cubane-1,4-dicarboxylate
A819887
Purity:99%
Quantity:5g
Price ($):481.0
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