tert-Butyl 4-(prop-2-yn-1-yloxy)piperidine-1-carboxylate

Name: tert-Butyl 4-(prop-2-yn-1-yloxy)piperidine-1-carboxylate
Brand: ChemScene
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CAS No. 1219827-56-1
Cat. No. CS-0374230
Purity≥95%
MDL No.MFCD16653309

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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tert-Butyl 4-(prop-2-yn-1-yloxy)piperidine-1-carboxylate|CS-0374230

Structure of 1219827-56-1

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General Information

CAS No. 1219827-56-1
Cat. No. CS-0374230
Purity ≥95%
MDL No. MFCD16653309
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₂₁NO₃
Molecular Weight 239.31
Synonym(s) None
SMILES O=C(N1CCC(OCC#C)CC1)OC(C)(C)C

Description

tert-Butyl 4-(prop-2-yn-1-yloxy)piperidine-1-carboxylate features a propargyl ether linkage that enables efficient copper-catalyzed azide-alkyne cycloaddition (CuAAC), facilitating rapid conjugation in bioorthogonal labeling. The piperidine core offers favorable solubility and stability under standard bench conditions, while the tert-butyl carbamate group provides robust protection for amine functionalities during synthetic manipulations.

Application

tert-Butyl 4-(prop-2-yn-1-yloxy)piperidine-1-carboxylate serves as a versatile building block in medicinal chemistry, enabling efficient access to piperidine-based scaffolds via orthogonal deprotection and click chemistry. The propargyloxy group facilitates CuAAC reactions, while the tert-butoxycarbonyl (Boc) group provides stable protection under standard conditions. Its bench-stable nature and compatibility with diverse functional groups make it ideal for modular synthesis of bioactive molecules.

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P363-P501

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Computational Chemistry Data

TPSA 38.77
LogP 2.0357
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Ether

Building Blocks Functional Group Alkyne

Building Blocks Skeleton Aliphatic heterocycle compounds Piperidine compounds

Life Science Click Chemistry Reagents Alkyne

Chemical Biology Pharmaceutical Development and Drug Discovery Research Conjugation Chemistry/Click Chemistry Terminal Alkynes

Chemical Biology Conjugation Chemistry/Click Chemistry Terminal Alkynes

Key Words

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tert-Butyl 4-(prop-2-yn-1-yloxy)piperidine-1-carboxylate

CAS No. 1219827-56-1

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