Lot numbers can be found on the outside label of a product:
tert-Butyl 2-methylpiperidine-1-carboxylate
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CAS No. 126503-04-6
- Cat. No. CS-0079038
- Purity≥98%
- MDL No.MFCD02093759
*For research and further manufacturing use only, not for direct human use.
Structure of 126503-04-6
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General Information
- CAS No. 126503-04-6
- Cat. No. CS-0079038
- Purity ≥98%
- MDL No. MFCD02093759
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₁H₂₁NO₂
- Molecular Weight 199.29
- Synonym(s) 1-Boc-2-methylpiperidine
- SMILES O=C(OC(C)(C)C)N1CCCCC1C
Description
tert-Butyl 2-methylpiperidine-1-carboxylate features a sterically hindered piperidine core with a methyl group at the 2-position, enabling selective functionalization. The tert-butyl carbamate moiety offers robust protection under standard conditions while facilitating facile deprotection. This stable, bench-ready intermediate integrates efficiently into medicinal chemistry campaigns requiring nitrogen heterocycles with defined stereochemistry and tunable solubility.
Application
tert-Butyl 2-methylpiperidine-1-carboxylate serves as a versatile building block in medicinal chemistry, enabling efficient access to piperidine-based scaffolds. The tert-butyl carbamate group provides excellent bench stability and facilitates straightforward deprotection under mild acidic conditions. Its 2-methyl substitution enhances conformational rigidity and improves metabolic stability in target molecules, making it particularly valuable for optimizing pharmacokinetic properties in drug discovery campaigns.
Synthesis
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Route1
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202926-14-5 - ~89%
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In-stock
126503-04-6
References
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Michael, Forrest E.; Cochran, Brian M. Journal of the American Chemical Society, 2006 , vol. 128, # 13 p. 4246 - 4247
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Route2
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In-stock
24424-99-5 -
109-05-7
- ~93%
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In-stock
126503-04-6
References
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Chehardoli, Gholamabbas; Zolfigol, Mohammad Ali; Khakyzadeh, Vahid; Golbedaghi, Reza; Hall, Nikita A.; Blackman, Allan G. Journal of the Chinese Chemical Society, 2011 , vol. 58, # 4 p. 538 - 543
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Route3
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In-stock
821-41-0 - ~%
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In-stock
126503-04-6
References
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Michael, Forrest E.; Cochran, Brian M. Journal of the American Chemical Society, 2006 , vol. 128, # 13 p. 4246 - 4247
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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-P330-P362+P364-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 29.54
- LogP 2.7959
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 0
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Key Words
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