CAS 905587-30-6

1,1-Dimethylethyl N-[(1S)-1-(5-fluoro-2-pyrimidinyl)ethyl]carbamate

Description:

1,1-Dimethylethyl N-[(1S)-1-(5-fluoro-2-pyrimidinyl)ethyl]carbamate, with the CAS number 905587-30-6, is a chemical compound that belongs to the class of carbamates. This substance features a complex structure characterized by a dimethyl group attached to a tert-butyl moiety, along with a pyrimidine ring substituted with a fluorine atom. The presence of the carbamate functional group indicates that it may exhibit properties typical of this class, such as potential biological activity and the ability to form hydrogen bonds. The specific stereochemistry at the chiral center (1S) suggests that the compound may have distinct pharmacological properties, which could be relevant in medicinal chemistry. Additionally, the fluorine substitution on the pyrimidine ring may enhance lipophilicity and metabolic stability, making it a candidate for further investigation in drug development. Overall, the unique structural features of this compound may contribute to its potential applications in various fields, including pharmaceuticals and agrochemicals.

Formula: C₁₁H₁₆FN₃O₂

InChI: InChI=1S/C11H16FN3O2/c1-7(9-13-5-8(12)6-14-9)15-10(16)17-11(2,3)4/h5-7H,1-4H3,(H,15,16)/t7-/m0/s1

InChI key: InChIKey=HNXHBDFOMABPAW-ZETCQYMHSA-N

SMILES: [C@H](NC(OC(C)(C)C)=O)(C)C=1N=CC(F)=CN1

Synonyms:

• Carbamic acid, N-[(1S)-1-(5-fluoro-2-pyrimidinyl)ethyl]-, 1,1-dimethylethyl ester
• Carbamic acid, [(1S)-1-(5-fluoro-2-pyrimidinyl)ethyl]-, 1,1-dimethylethyl ester
• (S)-tert-Butyl [1-(5-fluoropyrimidin-2-yl)ethyl]carbamate
• 1,1-Dimethylethyl N-[(1S)-1-(5-fluoro-2-pyrimidinyl)ethyl]carbamate
• tert-Butyl [(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]carbamate