Benzyl 4-bromopiperidine-1-carboxylate

Name: Benzyl 4-bromopiperidine-1-carboxylate
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CAS No. 166953-64-6
Cat. No. CS-0216870
Molecule weight298.18
Purity≥95%
MDL No.None

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Benzyl 4-bromopiperidine-1-carboxylate|CS-0216870

Structure of 166953-64-6

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General Information

CAS No. 166953-64-6
Cat. No. CS-0216870
Purity ≥95%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₁₆BrNO₂
Molecular Weight 298.18
Synonym(s) benzyl 4-bromotetrahydro-1(2H)-pyridinecarboxylate
SMILES C1=CC=C(C=C1)COC(=O)N2CCC(CC2)Br

Description

Benzyl 4-bromopiperidine-1-carboxylate features a brominated piperidine core that integrates readily into medicinal chemistry scaffolds. The benzyl ester group enables selective deprotection under mild conditions, facilitating downstream functionalization. This bench-stable reagent supports efficient access to bioactive piperidine derivatives in drug discovery workflows.

Application

Benzyl 4-bromopiperidine-1-carboxylate serves as a versatile building block in medicinal chemistry, enabling efficient access to piperidine-based scaffolds. The bromide functionality facilitates palladium-catalyzed cross-coupling reactions, while the benzyl carbamate group offers stable protection of the nitrogen under standard conditions. This compound exhibits excellent bench stability and compatibility with diverse functional groups, facilitating straightforward purification and integration into multi-step synthesis 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 29.54
LogP 3.1825
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aliphatic heterocycle compounds Piperidine compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Benzyl 4-bromopiperidine-1-carboxylate

CAS No. 166953-64-6

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