1-(tert-Butyl) 4-ethyl 4-bromopiperidine-1,4-dicarboxylate

CAS No. 1823257-80-2
Cat. No. CS-0029687
Molecule weight336.22
Purity≥96%
MDL No.MFCD26793922

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1-(tert-Butyl) 4-ethyl 4-bromopiperidine-1,4-dicarboxylate|CS-0029687

Structure of 1823257-80-2

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General Information

CAS No. 1823257-80-2
Cat. No. CS-0029687
Purity ≥96%
MDL No. MFCD26793922
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₂₂BrNO₄
Molecular Weight 336.22
Synonym(s) 1,4-Piperidinedicarboxylic acid, 4-bromo-, 1-(1,1-dimethylethyl) 4-ethyl ester
SMILES O=C(N1CCC(C(OCC)=O)(Br)CC1)OC(C)(C)C

Description

1-(tert-Butyl) 4-ethyl 4-bromopiperidine-1,4-dicarboxylate is a sterically hindered, bench-stable piperidine derivative featuring a brominated C4 position and two ester-functionalized carbons. This configuration enables direct coupling in cross-coupling reactions and facilitates downstream diversification in medicinal chemistry. The tert-butyl and ethyl groups enhance solubility and stability during synthetic manipulations.

Application

1-(tert-Butyl) 4-ethyl 4-bromopiperidine-1,4-dicarboxylate serves as a versatile building block in medicinal chemistry, enabling the synthesis of piperidine-based scaffolds through standard cross-coupling and nucleophilic substitution reactions. The bromo group facilitates late-stage functionalization, while the tert-butyl and ethyl esters offer orthogonal protection for selective deprotection and derivatization. Its bench-stable nature and compatibility with diverse reaction conditions support efficient route development for API candidates.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 55.84
LogP 2.7141
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Functional Group Ester

Building Blocks Skeleton Aliphatic heterocycle compounds Piperidine compounds

Key Words

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1-(tert-Butyl) 4-ethyl 4-bromopiperidine-1,4-dicarboxylate

CAS No. 1823257-80-2

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