CAS 344413-84-9

1,1-Dimethylethyl N-[(2S)-2-fluoro-3-hydroxypropyl]carbamate

Description:

1,1-Dimethylethyl N-[(2S)-2-fluoro-3-hydroxypropyl]carbamate, with the CAS number 344413-84-9, is a chemical compound characterized by its carbamate functional group, which is derived from the reaction of a carbamic acid with an alcohol. This compound features a tert-butyl group (1,1-dimethylethyl) that contributes to its steric bulk, potentially influencing its reactivity and solubility. The presence of a fluorine atom in the (2S)-2-fluoro-3-hydroxypropyl moiety suggests that it may exhibit unique biological activity or properties, as fluorinated compounds often display altered pharmacokinetics and increased metabolic stability. The hydroxyl group in the structure indicates potential for hydrogen bonding, which can affect solubility in polar solvents and influence interactions with biological targets. Overall, this compound's characteristics, including its molecular structure and functional groups, suggest potential applications in pharmaceuticals or agrochemicals, although specific properties such as melting point, boiling point, and solubility would require empirical data for precise characterization.

Formula: C₈H₁₆FNO₃

InChI: InChI=1S/C8H16FNO3/c1-8(2,3)13-7(12)10-4-6(9)5-11/h6,11H,4-5H2,1-3H3,(H,10,12)/t6-/m0/s1

InChI key: InChIKey=MXXNEFMIRPHICR-LURJTMIESA-N

SMILES: O(C(C)(C)C)C(NC[C@@H](CO)F)=O

Synonyms:

• (S)-3-tert-Butoxycarbonylamino-2-fluoro-1-propanol
• 1,1-Dimethylethyl N-[(2S)-2-fluoro-3-hydroxypropyl]carbamate
• Carbamic acid, N-[(2S)-2-fluoro-3-hydroxypropyl]-, 1,1-dimethylethyl ester
• Carbamic acid, [(2S)-2-fluoro-3-hydroxypropyl]-, 1,1-dimethylethyl ester