2-Cyano-2-propyl benzodithioate
$400.00
CAS No.: 201611-85-0
Catalog No.: 196513
Purity: 95%
MF: C11H11NS2
MW: 221.35
Storage: 2-8 degree Celsius
SMILES: S=C(SC(C)(C#N)C)C1=CC=CC=C1
Catalog No.: 196513
Purity: 95%
MF: C11H11NS2
MW: 221.35
Storage: 2-8 degree Celsius
SMILES: S=C(SC(C)(C#N)C)C1=CC=CC=C1
2-Cyano-2-propyl benzodithioate; CAS No.: 201611-85-0; 2-Cyano-2-propyl benzodithioate. PROPERTIES: 2-Cyano-2-propyl benzodithioate is a colorless to light yellow liquid with a molecular formula of C11H10N2S2. It has a molecular weight of 226.34 g/mol and a boiling point of approximately 125-127 C at reduced pressure (2 mmHg). The compound is moderately soluble in non-polar solvents like hexane and diethyl ether but is insoluble in water. It is highly sensitive to air and moisture and must be stored under inert atmosphere at -20 C in sealed ampoules. Safety precautions include using a fume hood and avoiding skin contact. It is classified as a category 1A carcinogen suspect agent according to ACGIH guidelines. APPLICATIONS: 2-Cyano-2-propyl benzodithioate is primarily used as a specialized coupling agent in the synthesis of carbon-carbon bonds via Stille reactions. Its dithioate group provides efficient transmetalation with organotin reagents. In the field of materials science, this compound serves as a precursor for the preparation of conductive polymers with tailored electronic properties. It is also employed in the synthesis of agostic complexes for catalytic applications, as documented in Inorganic Chemistry. Additionally, the compound functions as a key intermediate in the preparation of novel photoreactive materials for holographic data storage, where its cyano group participates in photoinduced electron transfer processes. Its unique reactivity profile makes it valuable in the development of click chemistry reactions for bioconjugation applications, particularly in labeling biomolecules for imaging studies.
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