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CS-W001157 4
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tert-Butyl 4-(chloromethyl)piperidine-1-carboxylate

  • CAS No. 479057-79-9

  • Cat. No. CS-0112988
  • Molecule weight233.74
  • Purity≥96%
  • MDL No.MFCD08689676

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

tert-Butyl 4-(chloromethyl)piperidine-1-carboxylate|CS-0112988

Structure of 479057-79-9

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General Information

  • CAS No. 479057-79-9
  • Cat. No. CS-0112988
  • Purity ≥96%
  • MDL No. MFCD08689676
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₂₀ClNO₂
  • Molecular Weight 233.74
  • Synonym(s) tert-Butyl 4-(chloromethyl)tetrahydro-1(2H)-pyridinecarboxylate
  • SMILES O=C(N1CCC(CCl)CC1)OC(C)(C)C

Description

tert-Butyl 4-(chloromethyl)piperidine-1-carboxylate features a reactive chloromethyl group appended to a piperidine scaffold, enabling efficient conjugation in late-stage functionalization. This bench-stable reagent integrates readily into synthetic workflows requiring selective alkylation, particularly in medicinal chemistry and fragment-based drug discovery.

Application

tert-Butyl 4-(chloromethyl)piperidine-1-carboxylate serves as a versatile building block in medicinal chemistry, enabling efficient introduction of piperidine scaffolds with a reactive chloromethyl handle. The tert-butyl ester provides excellent bench stability and facilitates mild deprotection under acidic conditions. The chloromethyl group participates reliably in nucleophilic substitutions, including azide displacement and amine coupling, supporting rapid diversification in lead optimization campaigns.

Synthesis

  • Route1

    References

    • WO2006/20415 A1, ; Page/Page column 61; 62 ; WO 2006/020415 A1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501

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Computational Chemistry Data

  • TPSA   29.54
  • LogP   2.8723
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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