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Name
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(2S)-tert-Butyl 3-cyano-2-methyl-4-oxopiperidine-1-carboxylate
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Synonyms
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(2S)-tert-Butyl 3-cyano-2-methyl-4-oxopiperidine-1-carboxylate;
1-Piperidinecarboxylic acid, 3-cyano-2-me thyl-4-oxo-, 1,1-dimethylethyl ester, (2S);
-tert-butyl (2S)-3-cyano-2-methyl-4-oxo-piperidine-1-carboxylate;
(2S)-1-Boc-2-methyl-4-oxopiperidine-3-carbonitrile;
(2S)-3-Cyano-2-methyl-4-oxopiperidine-1-carboxylic acid tert-butyl ester;
tert-butyl (2S)-3-cyano-2-methyl-4-oxo-piperidine-1-carboxylate - [B85125]
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CAS
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2212021-56-0
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MF
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C₁₂H₁₈N₂O₃
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MW
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238.28
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Boiling Point
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379.3±42.0 ºC (Predicted)
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Density
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1.13±0.1 g/cm³ (Predicted)
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Acid Dissociation Constant (pKa)
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-3.66±0.60 (Predicted)
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Usage
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Key Precursor for Antiparasitic Drug Synthesis: Through reactions such as cyano reduction and ester hydrolysis, it constructs the core piperidine ring scaffold of antimalarial or anthelmintic drugs. Its (S)-configuration can accurately match the stereochemical requirements of drug targets, serving as an important intermediate for synthesizing new and highly effective antiparasitic drugs.
Raw Material for Central Nervous System (CNS) Drug R&D: Used in preparing drugs targeting neurotransmitter regulation (e.g., antidepressants, anxiolytics). Modifying its 4-oxo and 3-cyano functional groups can optimize the drug's blood-brain barrier penetration and receptor-binding affinity, enhancing therapeutic effects. Chiral Building Block for Piperidine Derivative Synthesis: As a key chiral building block in the fine chemical field, it participates in cycloaddition, nucleophilic substitution, and other reactions. It is used to synthesize chiral ligands, bioactive probes, or pesticide intermediates, providing support for the directed synthesis of various piperidine-containing functional molecules. |
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