CAS 1052713-39-9

Phenylmethyl (3S,4S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-fluoro-1-piperidinecarboxylate

Description:

Phenylmethyl (3S,4S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-fluoro-1-piperidinecarboxylate, with CAS number 1052713-39-9, is a synthetic organic compound characterized by its complex structure, which includes a piperidine ring, a fluorine atom, and an ester functional group. The presence of the dimethylethoxycarbonyl group suggests that it may exhibit properties typical of carbamate derivatives, potentially influencing its reactivity and solubility. The stereochemistry indicated by the (3S,4S) configuration implies that the compound has specific spatial arrangements that can affect its biological activity and interaction with enzymes or receptors. This compound may be of interest in medicinal chemistry, particularly in the development of pharmaceuticals, due to its potential biological activity. Its molecular interactions, stability, and reactivity would be influenced by the functional groups present, making it a candidate for further study in drug design and development. As with many synthetic compounds, safety and handling precautions should be observed due to potential toxicity or reactivity.

Formula: C₁₈H₂₅FN₂O₄

InChI: InChI=1S/C18H25FN2O4/c1-18(2,3)25-16(22)20-15-11-21(10-9-14(15)19)17(23)24-12-13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3,(H,20,22)/t14-,15-/m0/s1

InChI key: InChIKey=MVHJFTQWJQHIAL-GJZGRUSLSA-N

SMILES: C(OCC1=CC=CC=C1)(=O)N2C[C@H](NC(OC(C)(C)C)=O)[C@@H](F)CC2

Synonyms:

• 1-Piperidinecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-fluoro-, phenylmethyl ester, (3S,4S)-
• Phenylmethyl (3S,4S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-fluoro-1-piperidinecarboxylate
• Benzyl (3S,4S)-3-(tert-butoxycarbonylamino)-4-fluoropiperidine-1-carboxylate