CAS 1354019-47-8

Carbamic acid, N-[(3S)-1-(2-chloroacetyl)-3-piperidinyl]-N-(1-methylethyl)-, 1,1-dimethylethyl ester

Description:

Carbamic acid, N-[(3S)-1-(2-chloroacetyl)-3-piperidinyl]-N-(1-methylethyl)-, 1,1-dimethylethyl ester, identified by CAS number 1354019-47-8, is a chemical compound characterized by its complex structure, which includes a piperidine ring and a chloroacetyl group. This compound is typically classified as a carbamate, a functional group known for its applications in pharmaceuticals and agrochemicals. The presence of the chloroacetyl moiety suggests potential reactivity, particularly in nucleophilic substitution reactions. The piperidine ring contributes to the compound's basicity and can influence its pharmacological properties. Additionally, the ester functionality indicates that it may undergo hydrolysis under certain conditions, leading to the release of the corresponding alcohol and carbamic acid. The stereochemistry indicated by the (3S) designation suggests that the compound has specific spatial arrangements that may affect its biological activity and interactions with biological targets. Overall, this compound's unique structural features make it of interest in medicinal chemistry and related fields.

Formula: C₁₅H₂₇ClN₂O₃

InChI: InChI=1S/C15H27ClN2O3/c1-11(2)18(14(20)21-15(3,4)5)12-7-6-8-17(10-12)13(19)9-16/h11-12H,6-10H2,1-5H3/t12-/m0/s1

InChI key: InChIKey=CXKNYPOXEPCUJP-LBPRGKRZSA-N

SMILES: N(C(OC(C)(C)C)=O)(C(C)C)[C@@H]1CN(C(CCl)=O)CCC1

Synonyms:

• Carbamic acid, N-[(3S)-1-(2-chloroacetyl)-3-piperidinyl]-N-(1-methylethyl)-, 1,1-dimethylethyl ester
• [(S)-1-(2-Chloro-acetyl)-piperidin-3-yl]-isopropyl-carbamic acid tert-butyl ester
• tert-Butyl N-[(3S)-1-(2-chloroacetyl)piperidin-3-yl]-N-propan-2-ylcarbamate