Benzyl 3-amino-4-oxopiperidine-1-carboxylate hydrochloride

CAS No. 1196145-01-3
Cat. No. CS-0136183
Molecule weight284.74
Purity≥97%
MDL No.MFCD12756125

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Benzyl 3-amino-4-oxopiperidine-1-carboxylate hydrochloride|CS-0136183

Structure of 1196145-01-3

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General Information

CAS No. 1196145-01-3
Cat. No. CS-0136183
Purity ≥97%
MDL No. MFCD12756125
Storage 4°C, sealed storage, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₁₇ClN₂O₃
Molecular Weight 284.74
Synonym(s) 3-AMINO-4-OXO-PIPERIDINE-1-CARBOXYLIC ACID BENZYL ESTER HCL
SMILES O=C(N1CC(N)C(CC1)=O)OCC2=CC=CC=C2.[H]Cl

Description

Benzyl 3-amino-4-oxopiperidine-1-carboxylate hydrochloride features a piperidine core with a strategically positioned amino group and ketone functionality, enabling direct incorporation into diverse heterocyclic scaffolds. The benzyl ester moiety enhances solubility and stability, while the hydrochloride salt ensures excellent crystallinity and handling ease. This compound serves as a key intermediate in the synthesis of bioactive nitrogen-containing molecules.

Application

Benzyl 3-amino-4-oxopiperidine-1-carboxylate hydrochloride serves as a versatile building block in medicinal chemistry, enabling efficient access to piperidine-based scaffolds. Its amine and carbonyl functionalities support diverse transformations, including reductive amination, cyclization, and coupling reactions. The benzyl ester provides bench stability and facilitates straightforward deprotection, while the hydrochloride salt enhances solubility and handling—ideal for high-throughput synthesis and API development workflows.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 72.63
LogP 1.3471
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Ketone

Building Blocks Skeleton Aliphatic heterocycle compounds Piperidine compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Benzyl 3-amino-4-oxopiperidine-1-carboxylate hydrochloride

CAS No. 1196145-01-3

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