Lot numbers can be found on the outside label of a product:
1,4-di-tert-Butyl 2-methyl piperazine-1,2,4-tricarboxylate
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CAS No. 171504-98-6
- Cat. No. CS-0137043
- Purity≥98%
- MDL No.MFCD16621219
*For research and further manufacturing use only, not for direct human use.
Structure of 171504-98-6
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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
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.
Synthesis
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Route1
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In-stock
181955-79-3 -
74-88-4 - ~95%
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In-stock
171504-98-6
References
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SYMPHONY EVOLUTION, INC. Patent: US2011/82114 A1, 2011 ; US 20110082114 A1
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Route2
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18107-18-1
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In-stock
181955-79-3
- ~60%
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In-stock
171504-98-6
References
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GLAXO GROUP LIMITED Patent: WO2008/148853 A1, 2008 ; Location in patent: Page/Page column 158 ; WO 2008/148853 A1
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References
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Microcide Pharmaceuticals, Inc. Patent: US6399629 B1, 2002 ;
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Safety Information
Download SDS|
GHS Pictogram :
N/A
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GHS No : N/A
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Signal Word : N/A
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : N/A
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Precautionary Statements : N/A
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Quality Control
Computational Chemistry Data
- TPSA 85.38
- LogP 2.0158
- H_Acceptors 6
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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