Tert-butyl 4-(3-chloropropyl)piperazine-1-carboxylate

Name: Tert-butyl 4-(3-chloropropyl)piperazine-1-carboxylate
Brand: ChemScene
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CAS No. 165530-45-0
Cat. No. CS-0237903
Purity≥97%
MDL No.MFCD10697871

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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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Tert-butyl 4-(3-chloropropyl)piperazine-1-carboxylate|CS-0237903

Structure of 165530-45-0

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Description

Tert-butyl 4-(3-chloropropyl)piperazine-1-carboxylate is a bench-stable, moisture-tolerant piperazine derivative featuring a reactive chloroalkyl side chain. This functional group enables efficient coupling in amine-directed transformations, facilitating the synthesis of bioactive molecules through nucleophilic substitution. The tert-butyl ester serves as a protective handle for subsequent deprotection under mild acidic conditions.

Application

Tert-butyl 4-(3-chloropropyl)piperazine-1-carboxylate serves as a versatile building block in medicinal chemistry, enabling the introduction of piperazine-linked alkyl chains with controlled reactivity. The chloropropyl side chain facilitates nucleophilic substitution reactions, while the tert-butyl carbamate group offers stability and convenient deprotection under mild acidic conditions. This combination supports efficient synthesis of complex heterocyclic scaffolds and functionalized analogs relevant to drug discovery workflows.

General Information

CAS No. 165530-45-0
Cat. No. CS-0237903
Purity ≥97%
MDL No. MFCD10697871
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₂₃ClN₂O₂
Molecular Weight 262.78
Synonym(s) None
SMILES O=C(OC(C)(C)C)N1CCN(CC1)CCCCl

Computational Chemistry Data

TPSA 32.78
LogP 2.168
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 3

Safety Information

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GHS Pictogram :	GHS No : GHS05
Signal Word : Danger	UN#: 1760
Class : 8	Packing Group : Ⅲ
Hazard Statements : H302-H315-H318-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P405-P501

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Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Skeleton Aliphatic heterocycle compounds Piperazine compounds

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Tert-butyl 4-(3-chloropropyl)piperazine-1-carboxylate

CAS No. 165530-45-0

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