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CAS 7396-41-0

Dimethyl 1,3-Dithiole-2-thione-4,5-dicarboxylate TCI D2127

Dimethyl 1,3-Dithiole-2-thione-4,5-dicarboxylate TCI D2127
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TCI D2127 Dimethyl 1,3-Dithiole-2-thione-4,5-dicarboxylate is a heterocyclic synthesis raw material that carries a 1,3-dithiole-2-thione core bearing two methyl ester groups at the 4- and 5-positions. The compound is one of the classic entry points into tetrathiafulvalene (TTF) chemistry and other conjugated sulfur compounds that are widely studied in the field of molecular electronic materials. In the laboratory, it serves as a key precursor for building sulfur-rich frameworks that are difficult to prepare directly, which saves considerable effort when designing synthetic routes toward functional materials.

The characteristics that make researchers select this building block are the presence of a reactive thione group, which can be converted into a wide range of derivatives through coupling or exchange reactions, together with two ester groups that can be hydrolysed, reduced, or amidated in order to install side chains as required. This combination gives researchers two axes of modification at once within a single small molecule, making it well suited to constructing libraries of organic electron donors with tunable electronic properties. As a solid that is stable at room temperature, the compound is also more practical to handle than many comparable reagents.

In Indonesian laboratories, this material is typically used in university and institutional research groups working on organic synthesis, organic electronic materials, and conjugated sulfur chemistry. It is generally ordered in research-scale quantities for multi-step route development rather than bulk production work, and is drawn from the stock as needed for individual reaction steps. Because it is supplied as a stable solid, it fits well into ordinary laboratory workflows where reagents are stored in a shared chemical cabinet and weighed out per experiment.

  • Tetrathiafulvalene (TTF) synthesis — the 1,3-dithiole-2-thione core is the classic starting framework for TTF systems, so the compound removes the need to build the sulfur-rich ring from scratch.
  • Conjugated sulfur compound preparation — the reactive thione group can be converted through coupling or exchange reactions, giving direct access to extended sulfur-containing conjugated structures for further study.
  • Molecular electronic materials research — the compound supports the construction of organic electron donor systems whose electronic properties can be tuned through modification of the ester positions.
  • Electron donor library construction — two independently modifiable handles on one small molecule allow researchers to prepare series of related donors efficiently from a single common precursor.
  • Side-chain functionalisation studies — the two methyl esters can be hydrolysed, reduced, or amidated, letting researchers attach side chains chosen to suit solubility or assembly requirements.

Brand TCI (Tokyo Chemical Industry)
CAS number 7396-41-0
Molecular formula
Purity
Category Chemistry > Building Blocks > Heterocyclic Building Blocks
Pack sizes available in research-scale catalogue pack sizes; please confirm the size required when ordering
Physical form solid, stable at room temperature
Storage store in a closed container in a cool, dry place away from light
  • Product code: D2127

Store the container tightly closed in a cool, dry, and well-ventilated area, protected from direct sunlight and away from incompatible chemicals such as strong oxidising agents. The original manufacturer bottle is the most suitable container; if the material must be transferred, use a clean, dry, chemically resistant vessel with a secure closure and label it clearly with the product name and CAS number. Handle the solid in a fume hood to avoid inhaling dust, and wear a laboratory coat, safety glasses, and chemical-resistant gloves. Sulfur-containing compounds of this type may have a noticeable odour, so keep the container closed when not in active use. Weigh out only the quantity needed, close the bottle promptly to limit moisture uptake, and consult the manufacturer safety data sheet before first use.