1,4-di-tert-Butyl 2-methyl piperazine-1,2,4-tricarboxylate

Name: 1,4-di-tert-Butyl 2-methyl piperazine-1,2,4-tricarboxylate
Brand: ChemScene
Availability: InStock
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CAS No. 171504-98-6
Cat. No. CS-0137043
Purity≥98%
MDL No.MFCD16621219

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1,4-di-tert-Butyl 2-methyl piperazine-1,2,4-tricarboxylate|CS-0137043

Structure of 171504-98-6

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Description

This sterically encumbered piperazine derivative features three carboxylate groups positioned for orthogonal functionalization, enabling precise molecular scaffolding in complex synthesis. The tert-butyl and methyl substituents confer enhanced stability and solubility under standard conditions, facilitating handling in multi-step transformations.

Application

1,4-di-tert-Butyl 2-methyl piperazine-1,2,4-tricarboxylate serves as a versatile, bench-stable building block for the synthesis of complex heterocyclic scaffolds. Its three carboxylate groups enable orthogonal functionalization, while the sterically shielded piperazine core provides enhanced stability and resistance to hydrolysis. The molecule facilitates efficient access to diversified libraries in medicinal chemistry campaigns, particularly in the construction of constrained macrocyclic and peptidomimetic frameworks via standard coupling and cyclization protocols.

General Information

CAS No. 171504-98-6
Cat. No. CS-0137043
Purity ≥98%
MDL No. MFCD16621219
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₆H₂₈N₂O₆
Molecular Weight 344.40
Synonym(s) 1,4-di-tert-butyl methyl piperazine-1,2,4-tricarboxylate
SMILES O=C(OC(C)(C)C)N1C(CN(CC1)C(OC(C)(C)C)=O)C(OC)=O

Computational Chemistry Data

TPSA 85.38
LogP 2.0158
H_Acceptors 6
H_Donors 0
Rotatable_Bonds 1

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aliphatic heterocycle compounds Piperazine compounds

Key Words

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1,4-di-tert-Butyl 2-methyl piperazine-1,2,4-tricarboxylate

CAS No. 171504-98-6

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