Dimethyl Cubane-1,4-dicarboxylate TCI D5542

Chemical Identity

Other names: Cubane-1,4-dicarboxylic Acid Dimethyl Ester · 1,4-Bis(methoxycarbonyl)cubane
CAS No.: 29412-62-2
PubChem: CID 141480·SID 468591398
Formula: C12H12O4
Molecular weight: 220.22 g/mol
Purity: >98.0%(GC)
Reference databases: ChemSpider·ECHA

Full identifiers (IUPAC, SMILES, InChIKey)

IUPAC: dimethyl cubane-1,4-dicarboxylate
SMILES: COC(=O)C12C3C4C1C5C2C3C45C(=O)OC
InChIKey: OXBMFCGRQJNAOY-UHFFFAOYSA-N
MDL: MDL29060101

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Berat 100mg 1g 5g

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Dimethyl Cubane-1,4-dicarboxylate is a chemical compound widely used in laboratory settings as a building block for the synthesis of complex organic molecules. This compound plays a crucial role in organic chemistry research, enabling the creation of stable and versatile molecular structures. Its unique cubic framework, composed of carbon and oxygen atoms, allows for the formation of multiple chemical bonds, making it a valuable tool for chemists working on advanced synthetic pathways. In laboratories, it serves as a key reagent in various reactions that require precise control over molecular structure and reactivity.

The compound's symmetrical molecular structure and high chemical stability make it a preferred choice for researchers. These properties ensure consistent performance in chemical reactions, contributing to the reproducibility of experimental results. Its reactivity allows it to participate in a range of chemical processes, including esterification, hydrolysis, and substitution reactions. The compound's ability to maintain structural integrity under different reaction conditions makes it ideal for use in controlled laboratory environments where accuracy and reliability are essential.

In Indonesian laboratories, Dimethyl Cubane-1,4-dicarboxylate is commonly used in organic chemistry research and the synthesis of complex compounds. It is a staple in academic and industrial research settings, supporting the development of new chemical compounds and materials. Its application extends to various scientific fields, including pharmaceutical research and material science, where precise chemical synthesis is required.

Advantages (TCI brochure)

Cubane is a bioisostere of benzene rings
Adds sp3 carbon character, expected to improve solubility
Increases 3-dimensionality of drug candidates

TCI brochures (PDF)

Building Blocks for Bioisosteric Replacement in Medicinal Chemistry 2026-01-05 · p. 1
Cubane Building Blocks as Benzene Bioisosteres 2025-04-03 · p. 1

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Organic synthesis applications benefit from its stable structure and reactivity, enabling the creation of complex molecular frameworks.
It is ideal for esterification reactions due to its ability to form ester bonds under controlled conditions.
Hydrolysis processes often use this compound as a reactant, leveraging its chemical stability and reactivity.
Substitution reactions in synthetic pathways benefit from its versatile functional groups, allowing for targeted molecular modifications.
Research in material science utilizes its unique structure to develop new polymers and advanced chemical materials.

From the TCI brochure

Bioisosteric replacement of benzene rings in medicinal chemistry

Brand	TCI
CAS number	29412-62-2
Molecular formula	—
Purity	—
Category	Chemistry > Building Blocks > Non-Heterocyclic Building Blocks
Pack sizes	—
Physical form	—
Storage	Store in a cool, dry place away from direct sunlight

Dimethyl Cubane-1,4-dicarboxylate should be stored in a cool, dry environment to maintain its chemical stability. It is recommended to keep the compound in a sealed container to prevent exposure to moisture and air, which could affect its reactivity. Laboratory personnel should handle the compound with care, using appropriate personal protective equipment such as gloves and safety goggles. It is important to ensure that the storage area is well-ventilated to minimize any potential risks associated with chemical exposure. Regular monitoring of storage conditions is advised to maintain the integrity of the compound and ensure safe laboratory practices.

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