CAS 958396-77-5

3-[[(1,1-Dimethylethoxy)carbonyl]amino]propyl 2-cyanoacetate

Description:

3-[[(1,1-Dimethylethoxy)carbonyl]amino]propyl 2-cyanoacetate is a chemical compound characterized by its complex structure, which includes an amino group, a cyano group, and an ester functional group. This compound features a propyl chain linked to an amino group that is further substituted with a dimethylethoxycarbonyl moiety, contributing to its reactivity and solubility properties. The presence of the cyanoacetate group indicates potential applications in organic synthesis, particularly in the formation of various derivatives through nucleophilic reactions. The compound is likely to exhibit moderate polarity due to the presence of both polar and non-polar functional groups, influencing its solubility in different solvents. Additionally, the dimethylethoxy group may provide steric hindrance, affecting its reactivity and interactions with other molecules. Overall, this compound's unique structural features make it a valuable intermediate in synthetic chemistry, particularly in the development of pharmaceuticals and agrochemicals.

Formula: C₁₁H₁₈N₂O₄

InChI: InChI=1S/C11H18N2O4/c1-11(2,3)17-10(15)13-7-4-8-16-9(14)5-6-12/h4-5,7-8H2,1-3H3,(H,13,15)

InChI key: InChIKey=XZLRJCSXDLXBSC-UHFFFAOYSA-N

SMILES: C(NCCCOC(CC#N)=O)(OC(C)(C)C)=O

Synonyms:

• 3-[[(1,1-Dimethylethoxy)carbonyl]amino]propyl 2-cyanoacetate
• 3-[[(tert-Butoxy)carbonyl]amino]propyl 2-cyanoacetate
• Acetic acid, 2-cyano-, 3-[[(1,1-dimethylethoxy)carbonyl]amino]propyl ester