CAS 1338494-93-1

Carbamic acid, N-[1-(2-chloro-5-fluoro-4-pyrimidinyl)-4-piperidinyl]-, 1,1-dimethylethyl ester

Description:

Carbamic acid, N-[1-(2-chloro-5-fluoro-4-pyrimidinyl)-4-piperidinyl]-, 1,1-dimethylethyl ester, commonly referred to by its CAS number 1338494-93-1, is a chemical compound characterized by its complex structure that includes a carbamic acid moiety and a piperidine ring. This compound features a pyrimidine ring substituted with chlorine and fluorine atoms, which contributes to its biological activity and potential pharmacological properties. The presence of the tert-butyl ester group enhances its lipophilicity, potentially influencing its absorption and distribution in biological systems. The compound may exhibit specific interactions with biological targets, making it of interest in medicinal chemistry, particularly in the development of pharmaceuticals. Its synthesis and characterization would typically involve standard organic chemistry techniques, and its stability, solubility, and reactivity would be assessed to determine its suitability for various applications. As with many compounds in this class, safety and handling precautions are essential due to potential toxicity or environmental impact.

Formula: C₁₄H₂₀ClFN₄O₂

InChI: InChI=1S/C14H20ClFN4O2/c1-14(2,3)22-13(21)18-9-4-6-20(7-5-9)11-10(16)8-17-12(15)19-11/h8-9H,4-7H2,1-3H3,(H,18,21)

InChI key: InChIKey=BVPUNKXPSXMAET-UHFFFAOYSA-N

SMILES: FC=1C(=NC(Cl)=NC1)N2CCC(NC(OC(C)(C)C)=O)CC2

Synonyms:

• tert-Butyl N-[1-(2-chloro-5-fluoropyrimidin-4-yl)piperidin-4-yl]carbamate
• Carbamic acid [1-(2-chloro-5-fluoro-4-pyrimidinyl)-4-piperidinyl]-, 1,1-dimethylethyl ester
• tert-Butyl N-[1-(2-chloro-5-fluoro-4-pyrimidinyl)-4-piperidyl]carbamate
• tert-Butyl [1-(2-chloro-5-fluoropyrimidin-4-yl)piperidin-4-yl]carbamate
• Carbamic acid, N-[1-(2-chloro-5-fluoro-4-pyrimidinyl)-4-piperidinyl]-, 1,1-dimethylethyl ester