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

Name: tert-Butyl 4-(chloromethyl)piperidine-1-carboxylate
Brand: ChemScene
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CAS No. 479057-79-9
Cat. No. CS-0112988
Purity≥96%
MDL No.MFCD08689676

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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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tert-Butyl 4-(chloromethyl)piperidine-1-carboxylate|CS-0112988

Structure of 479057-79-9

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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.

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

Computational Chemistry Data

TPSA 29.54
LogP 2.8723
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Safety Information

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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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Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Skeleton Aliphatic heterocycle compounds Piperidine compounds

Key Words

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

CAS No. 479057-79-9

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