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CAS 55696-50-9

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tert-butyl 4-cyanobenzoate

Description:
Tert-butyl 4-cyanobenzoate, with the CAS number 55696-50-9, is an organic compound that belongs to the class of esters. It is characterized by the presence of a tert-butyl group, which is a branched alkyl group, and a cyanobenzoate moiety, indicating the presence of a cyano group (-CN) attached to a benzoate structure. This compound typically appears as a colorless to pale yellow liquid or solid, depending on the temperature and purity. It is known for its relatively low volatility and moderate solubility in organic solvents, making it useful in various chemical applications. The presence of the cyano group imparts unique reactivity, allowing for further chemical transformations, such as nucleophilic additions or substitutions. Tert-butyl 4-cyanobenzoate is often utilized in organic synthesis, particularly in the preparation of pharmaceuticals and agrochemicals, due to its ability to serve as a versatile building block. Safety precautions should be observed when handling this compound, as it may pose health risks if ingested or inhaled.
Formula:C12H13NO2
InChI:InChI=1/C12H13NO2/c1-12(2,3)15-11(14)10-6-4-9(8-13)5-7-10/h4-7H,1-3H3
SMILES:CC(C)(C)OC(=O)c1ccc(cc1)C#N
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