Lot numbers can be found on the outside label of a product:
tert-Butyl 4-(piperazin-1-yl)piperidine-1-carboxylate
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CAS No. 177276-41-4
- Cat. No. CS-0093983
- Purity≥95%
- MDL No.MFCD04973999
*For research and further manufacturing use only, not for direct human use.
Structure of 177276-41-4
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General Information
- CAS No. 177276-41-4
- Cat. No. CS-0093983
- Purity ≥95%
- MDL No. MFCD04973999
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₄H₂₇N₃O₂
- Molecular Weight 269.39
- Synonym(s) None
- SMILES O=C(OC(C)(C)C)N1CCC(N2CCNCC2)CC1
Description
tert-Butyl 4-(piperazin-1-yl)piperidine-1-carboxylate serves as a pivotal building block in medicinal chemistry, featuring a sterically hindered tert-butyl ester and a piperazine-piperidine hybrid scaffold. This combination enables efficient incorporation into bioactive molecules, offering enhanced solubility and metabolic stability under standard conditions.
Application
tert-Butyl 4-(piperazin-1-yl)piperidine-1-carboxylate serves as a versatile bifunctional building block in medicinal chemistry, enabling efficient access to complex nitrogen-rich scaffolds. The piperazine moiety offers strong hydrogen-bonding capacity and metabolic stability, while the tert-butyl carbamate group provides excellent bench stability and orthogonal deprotection under mild acidic conditions. It functions as a key intermediate in the synthesis of GPCR-targeted compounds and kinase inhibitors, facilitating rapid diversification through standard amine coupling and reductive amination protocols.
Synthesis
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Route1
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177276-40-3 - ~91%
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In-stock
177276-41-4
References
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Long, Daniel D.; McKinnell, Robert Murray; Van Orden, Lori Jean; Ogawa, Gavin; Wilton, Donna Patent: US2013/287730 A1, 2013 ; Location in patent: Paragraph 0279; 0281 ;
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Route2
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177276-39-0 - ~85%
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In-stock
177276-41-4
References
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Laboratoires Fournier S.A. Patent: US2006/178360 A1, 2006 ; Location in patent: Page/Page column 26 ; US 20060178360 A1
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Route3
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79099-07-3 - ~%
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In-stock
177276-41-4
References
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US2013/287730 A1, ;
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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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 : H315-H319-H335
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Precautionary Statements : P260-P261-P264-P271-P280-P302+P352-P304+P340-P362-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 44.81
- LogP 1.2911
- H_Acceptors 4
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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