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CAS 172422-02-5

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TERT-BUTYL 3-ISOTHIOCYANATOPROPIONATE

Description:
Tert-butyl 3-isothiocyanatopropionate is an organic compound characterized by the presence of an isothiocyanate functional group attached to a propionate backbone. It is typically a colorless to pale yellow liquid with a distinctive odor. The compound is soluble in organic solvents and exhibits moderate stability under standard conditions. Its structure includes a tert-butyl group, which contributes to its hydrophobic properties, while the isothiocyanate group is known for its reactivity, particularly in nucleophilic addition reactions. This compound is often utilized in organic synthesis and may serve as a building block in the development of various chemical products, including agrochemicals and pharmaceuticals. Additionally, isothiocyanates are recognized for their biological activity, including potential antimicrobial and anticancer properties. Safety precautions should be observed when handling this compound, as isothiocyanates can be irritants and may pose health risks upon exposure. Overall, tert-butyl 3-isothiocyanatopropionate is a versatile chemical with applications in both research and industry.
Formula:C8H13NO2S
InChI:InChI=1/C8H13NO2S/c1-8(2,3)11-7(10)4-5-9-6-12/h4-5H2,1-3H3
SMILES:CC(C)(C)OC(=O)CCN=C=S
Synonyms:
  • beta-Alanine, N-carbonothioyl-, 1,1-dimethylethyl ester
  • tert-Butyl N-(thioxomethylene)-beta-alaninate
  • tert-butyl N-(thioxomethylidene)-beta-alaninate
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