Lot numbers can be found on the outside label of a product:
N-t-Butylpiperazine
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CAS No. 38216-72-7
- Cat. No. CS-W002238
- Purity≥97%
- MDL No.MFCD00049359
*For research and further manufacturing use only, not for direct human use.
Structure of 38216-72-7
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General Information
- CAS No. 38216-72-7
- Cat. No. CS-W002238
- Purity ≥97%
- MDL No. MFCD00049359
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₁₈N₂
- Molecular Weight 142.24
- Synonym(s) 1-Tert-butylpiperazine
- SMILES CC(N1CCNCC1)(C)C
Description
N-t-Butylpiperazine is a sterically hindered piperazine derivative featuring a bulky tert-butyl group that enhances its stability and solubility in organic media. This substitution reduces basicity while preserving nucleophilicity, enabling efficient incorporation into complex molecular architectures. The compound serves as a robust scaffold for medicinal chemistry campaigns, particularly in optimizing pharmacokinetic profiles through improved metabolic resistance.
Application
N-t-Butylpiperazine serves as a versatile nitrogen-containing building block in medicinal chemistry, enabling efficient access to complex heterocyclic scaffolds. Its tertiary amine functionality exhibits excellent stability and compatibility with standard synthetic protocols, facilitating straightforward functionalization and purification. The t-butyl group enhances solubility and steric shielding, improving metabolic stability in downstream applications. This compound functions effectively in amide coupling, reductive amination, and transition-metal-catalyzed cross-coupling reactions, making it a practical choice for lead optimization and API intermediate synthesis.
Synthesis
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Route1
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61014-95-7 - ~80%
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In-stock
38216-72-7
References
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NOVARTIS AG; NOVARTIS PHARMA GMBH Patent: WO2005/51366 A2, 2005 ; Location in patent: Page/Page column 69 ; WO 2005/051366 A2
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Route2
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40489-73-4
- ~%
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In-stock
38216-72-7
References
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Sandoz, Inc. Patent: US3962248 A1, 1976 ;
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Route3
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61014-96-8
- ~%
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In-stock
38216-72-7
References
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Poindexter, Graham S.; Bruce, Marc A.; LeBoulluec, Karen L.; Monkovic, Ivo Tetrahedron Letters, 1994 , vol. 35, # 40 p. 7331 - 7334
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS05,GHS09
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Signal Word : Danger
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UN#: 3259
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Class : 8
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Packing Group : Ⅱ
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Hazard Statements : H314-H400
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Precautionary Statements : P264-P271-P280-P301+P330+P331-P304+P340-P363-P501
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Quality Control
Computational Chemistry Data
- TPSA 15.27
- LogP 0.6901
- H_Acceptors 2
- H_Donors 1
- Rotatable_Bonds 0
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