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CAS 68521-58-4

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Methyl L-2-isothiocyanato-3-phenylpropionate

Description:
Methyl L-2-isothiocyanato-3-phenylpropionate, with the CAS number 68521-58-4, is a chemical compound characterized by its isothiocyanate functional group, which is known for its reactivity and potential biological activity. This compound features a methyl ester and a phenylpropionate structure, contributing to its unique properties. Isothiocyanates are often derived from glucosinolates and are recognized for their role in plant defense mechanisms, as well as their potential health benefits, including anti-cancer properties. Methyl L-2-isothiocyanato-3-phenylpropionate may exhibit a range of physical properties, such as volatility and solubility in organic solvents, which are typical for compounds containing isothiocyanate groups. Its applications may extend to fields such as agriculture, where it could be used as a pesticide or in the synthesis of other chemical compounds. However, specific safety and handling guidelines should be followed due to the reactive nature of isothiocyanates. Overall, this compound represents a fascinating area of study within organic chemistry and its applications in various industries.
Formula:C11H11NO2S
InChI:InChI=1/C11H11NO2S/c1-14-11(13)10(12-8-15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3/t10-/m0/s1
SMILES:COC(=O)[C@H](Cc1ccccc1)N=C=S
Synonyms:
  • Methyl 2-isothiocyanato-3-phenylpropionate
  • methyl N-(thioxomethylidene)phenylalaninate
  • methyl N-(thioxomethylidene)-L-phenylalaninate
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