Ethyl 4-oxopiperidine-3-carboxylate hydrochloride

Name: Ethyl 4-oxopiperidine-3-carboxylate hydrochloride
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CAS No. 4644-61-5
Cat. No. CS-W001848
Purity≥95%
MDL No.MFCD00043267

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Ethyl 4-oxopiperidine-3-carboxylate hydrochloride|CS-W001848

Structure of 4644-61-5

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General Information

CAS No. 4644-61-5
Cat. No. CS-W001848
Purity ≥95%
MDL No. MFCD00043267
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₁₄ClNO₃
Molecular Weight 207.66
Synonym(s) ethyl-4-oxo-3-piperidine carboxylate; Ethyl 4-oxopiperidine-3-carboxylate hydrochloride
SMILES CCOC(=O)C1CNCCC1=O.Cl

Description

Ethyl 4-oxopiperidine-3-carboxylate hydrochloride features a stable, bench-ready piperidine core with a ketone at the C4 position and an ester-functionalized C3. This electrophilic scaffold integrates readily into synthetic sequences requiring nitrogen heterocycles with orthogonal reactivity, particularly in medicinal chemistry and peptide conjugation workflows.

Application

Ethyl 4-oxopiperidine-3-carboxylate hydrochloride serves as a versatile building block in medicinal chemistry, enabling efficient access to piperidine-based scaffolds common in bioactive molecules. Its well-defined reactivity facilitates nucleophilic addition, reductive amination, and cyclization reactions under standard conditions. The hydrochloride salt enhances bench stability and simplifies purification, while the ester and ketone functionalities support diverse downstream transformations. This compound functions reliably in multi-step syntheses requiring functional group compatibility and predictable stereochemical outcomes.

Synthesis

Route1
- In-stock
  
  1454-53-1
- ~99%
- In-stock
  
  4644-61-5
References
- Ngo, Anh Ngoc; El Kassimi, Khadija; Amara, Zacharias; Drege, Emmanuelle; Joseph, Delphine Tetrahedron Letters, 2012 , vol. 53, # 26 p. 3296 - 3300

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 55.4
LogP 0.1499
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aliphatic heterocycle compounds Piperidine compounds

Chemical Biology Pharmaceutical Development and Drug Discovery Research Peptide Chemistry Amino Acid Derivatives

Chemical Biology Pharmaceutical Development and Drug Discovery Research Peptide Chemistry Unnatural Amino Acid Derivatives

Chemical Biology Pharmaceutical Development and Drug Discovery Research Reagents Peptide Chemistry Unnatural Amino Acid Derivatives

Biochemistry Biochemicals and Reagents Amino Acids C-ProtectedAmino Acids

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Ethyl 4-oxopiperidine-3-carboxylate hydrochloride

CAS No. 4644-61-5

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