rel-Methyl (3S,4S)-4-((tert-butoxycarbonyl)amino)piperidine-3-carboxylate

Name: rel-Methyl (3S,4S)-4-((tert-butoxycarbonyl)amino)piperidine-3-carboxylate
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CAS No. 1217774-23-6
Cat. No. CS-0060986
Purity≥95%
MDL No.MFCD09991632

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rel-Methyl (3S,4S)-4-((tert-butoxycarbonyl)amino)piperidine-3-carboxylate|CS-0060986

Structure of 1217774-23-6

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General Information

CAS No. 1217774-23-6
Cat. No. CS-0060986
Purity ≥95%
MDL No. MFCD09991632
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₂₂N₂O₄
Molecular Weight 258.32
Synonym(s) trans-4-Boc-Amino-piperidine-3-carboxylic acid methyl ester
SMILES CC(C)(OC(N[C@H]1CCNC[C@@H]1C(OC)=O)=O)C

Description

Methyl (3S,4S)-4-((tert-butoxycarbonyl)amino)piperidine-3-carboxylate is a stereochemically defined piperidine derivative featuring a protected amine and ester functionality. This configuration enables precise incorporation into peptide-like scaffolds and complex heterocycles. The tert-butyl carbamate group provides stability during multi-step syntheses, while the methyl ester offers a reactive handle for downstream transformations. Bench-stable under standard conditions, this intermediate supports efficient access to bioactive molecules in medicinal chemistry campaigns.

Application

Methyl (3S,4S)-4-((tert-butoxycarbonyl)amino)piperidine-3-carboxylate serves as a key chiral building block for the synthesis of piperidine-based medicinal compounds. The protected amine and ester functionalities enable orthogonal transformations in multi-step sequences. Its bench-stable nature and compatibility with standard coupling and reduction protocols facilitate efficient access to complex heterocyclic scaffolds relevant to drug discovery.

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-P280-P302+P352

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Computational Chemistry Data

TPSA 76.66
LogP 0.6622
H_Acceptors 5
H_Donors 2
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

Building Blocks Skeleton Aliphatic heterocycle compounds Piperidine compounds

Key Words

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rel-Methyl (3S,4S)-4-((tert-butoxycarbonyl)amino)piperidine-3-carboxylate

CAS No. 1217774-23-6

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