tert-Butyl 4-(3-bromophenyl)piperidine-1-carboxylate

CAS No. 886362-62-5
Cat. No. CS-0132004
Purity≥95%
MDL No.MFCD04115309

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tert-Butyl 4-(3-bromophenyl)piperidine-1-carboxylate|CS-0132004

Structure of 886362-62-5

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General Information

CAS No. 886362-62-5
Cat. No. CS-0132004
Purity ≥95%
MDL No. MFCD04115309
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₆H₂₂BrNO₂
Molecular Weight 340.26
Synonym(s) 4-(3-Bromo-phenyl)-piperidine-1-carboxylic acid tert-butyl ester
SMILES O=C(N1CCC(C2=CC=CC(Br)=C2)CC1)OC(C)(C)C

Description

tert-Butyl 4-(3-bromophenyl)piperidine-1-carboxylate features a brominated phenyl group attached to a piperidine scaffold, enabling direct functionalization in late-stage synthesis. The tert-butyl ester provides stability and ease of deprotection under mild acidic conditions, facilitating rapid access to the parent amine. This compound serves as a key intermediate for bioactive molecule construction.

Application

tert-Butyl 4-(3-bromophenyl)piperidine-1-carboxylate serves as a versatile building block in medicinal chemistry, enabling efficient construction of bioactive piperidine scaffolds. The pendant bromide facilitates Pd-catalyzed cross-coupling reactions, while the tert-butyl carbamate group offers robust protection and facile deprotection under mild acidic conditions. Its bench-stable nature and compatibility with diverse reaction conditions make it ideal for iterative synthesis campaigns targeting CNS-directed therapeutics and kinase inhibitors.

Safety Information

Download SDS

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 4.5636
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aliphatic heterocycle compounds Piperidine compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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tert-Butyl 4-(3-bromophenyl)piperidine-1-carboxylate

CAS No. 886362-62-5

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