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CS-W001157 4
Total: USD 88.00

tert-Butyl 3-(hydroxymethyl)-3-methylpiperidine-1-carboxylate

  • CAS No. 406212-48-4

  • Cat. No. CS-0048363
  • Purity≥97%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

tert-Butyl 3-(hydroxymethyl)-3-methylpiperidine-1-carboxylate|CS-0048363

Structure of 406212-48-4

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General Information

  • CAS No. 406212-48-4
  • Cat. No. CS-0048363
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₂₃NO₃
  • Molecular Weight 229.32
  • Synonym(s) None
  • SMILES CC(C)(C)OC(=O)N1CCCC(C)(CO)C1

Description

tert-Butyl 3-(hydroxymethyl)-3-methylpiperidine-1-carboxylate delivers a sterically hindered piperidine scaffold with a pendant hydroxymethyl group, enabling direct functionalization or oxidation to aldehyde intermediates. This bench-stable building block integrates readily into medicinal chemistry campaigns requiring constrained nitrogen heterocycles with tunable polarity and solubility.

Application

tert-Butyl 3-(hydroxymethyl)-3-methylpiperidine-1-carboxylate serves as a versatile scaffold for the synthesis of piperidine-based bioactive molecules, enabling efficient access to functionalized heterocycles. The hydroxymethyl group facilitates selective oxidation, protection, or derivatization, while the tert-butyl carbamate provides orthogonal protection compatible with diverse reaction conditions. Its bench-stable nature and ease of purification support scalable applications in medicinal chemistry and process development.

Synthesis

  • Route1

    References

    • SCHERING CORPORATION Patent: WO2008/156614 A2, 2008 ; Location in patent: Page/Page column 203 ; WO 2008/156614 A2
  • Route2

    References

    • WARNER-LAMBERT COMPANY LLC Patent: US2006/116376 A1, 2006 ; Location in patent: Page/Page column 16-17 ;
  • Route3

    References

    • GLAXOSMITHKLINE LLC; AMANS, Dominique; BAMBOROUGH, Paul; BIT, Rino, Antonio; BROWN, John, Alexander; CAMPBELL, Matthew; LINDON, Matthew, John; SHIPLEY, Tracy, Jane; THEODOULOU, Natalie, Hope; WELLAWAY, Christopher, Roland; WESTAWAY, Susan, Marie Patent: WO2014/78257 A1, 2014 ; Location in patent: Page/Page column 132 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   49.77
  • LogP   2.0159
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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