Lot numbers can be found on the outside label of a product:
1-Boc-3-Ethynylpiperidine
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CAS No. 664362-16-7
- Cat. No. CS-W003948
- Purity≥97%
- MDL No.MFCD10698159
*For research and further manufacturing use only, not for direct human use.
Structure of 664362-16-7
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General Information
- CAS No. 664362-16-7
- Cat. No. CS-W003948
- Purity ≥97%
- MDL No. MFCD10698159
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₂H₁₉NO₂
- Molecular Weight 209.28
- Synonym(s) Tert-butyl 3-ethynylpiperidine-1-carboxylate
- SMILES C#CC1CCCN(C1)C(=O)OC(C)(C)C
Description
1-Boc-3-Ethynylpiperidine features a protected piperidine core with a terminal alkyne handle, enabling direct incorporation into click chemistry workflows. The Boc group ensures stability and ease of deprotection, while the ethynyl moiety facilitates efficient CuAAC or strain-promoted cycloadditions. This compound serves as a modular building block for bioconjugation and medicinal chemistry applications.
Application
1-Boc-3-Ethynylpiperidine serves as a versatile building block in medicinal chemistry, enabling efficient access to functionalized piperidine scaffolds via mild deprotection and subsequent coupling reactions. The Boc group provides excellent stability under basic conditions and facilitates straightforward purification, while the terminal alkyne supports robust copper-catalyzed azide-alkyne cycloaddition (CuAAC) for rapid heterocycle construction. Its compatibility with diverse reaction conditions makes it well-suited for parallel synthesis and API intermediate development.
Synthesis
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Route1
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851882-50-3 - ~94%
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In-stock
664362-16-7
References
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ADDEX PHARMACEUTICALS SA Patent: WO2005/44797 A1, 2005 ; Location in patent: Page/Page column 54 ; WO 2005/044797 A1
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Route2
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90965-06-3 -
In-stock
118156-93-7 - ~76%
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In-stock
664362-16-7
References
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Bourrain, Sylvie; Hunt, Peter Alan; Huscroft, Ian Thomas; Kulagowski, Janusz Jozef; London, Clare; Naylor, Elizabeth Mary; Raubo, Piotr Antoni; Seward, Eileen Mary Patent: US2004/229864 A1, 2004 ; Location in patent: Page/Page column 11 ; US 20040229864 A1
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References
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Astar Biotech LLC; YU, Chunrong; Huang, Haihong; Zhang, Dongfeng; Li, Peng Patent: US2014/31354 A1, 2014 ; Location in patent: Paragraph 0296; 0421; 0422 ;
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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 : H302-H315-H319-H335
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 29.54
- LogP 2.2667
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 0
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Key Words
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