tert-Butyl 4-(prop-2-yn-1-yl)piperazine-1-carboxylate

Name: tert-Butyl 4-(prop-2-yn-1-yl)piperazine-1-carboxylate
Brand: ChemScene
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CAS No. 199538-99-3
Cat. No. CS-0127762
Molecule weight224.30
Purity≥98%
MDL No.MFCD04039721

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tert-Butyl 4-(prop-2-yn-1-yl)piperazine-1-carboxylate|CS-0127762

Structure of 199538-99-3

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General Information

CAS No. 199538-99-3
Cat. No. CS-0127762
Purity ≥98%
MDL No. MFCD04039721
Storage 4°C, protect from light, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₂₀N₂O₂
Molecular Weight 224.30
Synonym(s) None
SMILES O=C(OC(C)(C)C)N1CCN(CC#C)CC1

Description

tert-Butyl 4-(prop-2-yn-1-yl)piperazine-1-carboxylate features a propargyl group appended to the piperazine nitrogen, enabling efficient copper-catalyzed azide-alkyne cycloaddition (CuAAC) for bioconjugation and click chemistry applications. The tert-butyl carbamate moiety provides stability and ease of removal under mild acidic conditions. This compound serves as a versatile building block in the synthesis of functionalized pharmaceuticals and probes.

Application

tert-Butyl 4-(prop-2-yn-1-yl)piperazine-1-carboxylate serves as a versatile building block in medicinal chemistry, enabling efficient access to piperazine-based scaffolds through orthogonal deprotection and conjugation strategies. The propargyl group facilitates CuAAC click chemistry, while the tert-butyl carbamate offers excellent bench stability and ease of purification. Its functional group tolerance supports diverse downstream transformations in API synthesis.

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
Precautionary Statements : P264-P270-P330-P501

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Computational Chemistry Data

TPSA 32.78
LogP 1.1723
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aliphatic heterocycle compounds Piperazine compounds

Key Words

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tert-Butyl 4-(prop-2-yn-1-yl)piperazine-1-carboxylate

CAS No. 199538-99-3

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