tert-Butyl (4-(piperazin-1-yl)butyl)carbamate

Name: tert-Butyl (4-(piperazin-1-yl)butyl)carbamate
Brand: ChemScene
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CAS No. 874831-61-5
Cat. No. CS-0129023
Purity≥95%
MDL No.MFCD04038544

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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tert-Butyl (4-(piperazin-1-yl)butyl)carbamate|CS-0129023

Structure of 874831-61-5

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General Information

CAS No. 874831-61-5
Cat. No. CS-0129023
Purity ≥95%
MDL No. MFCD04038544
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₂₇N₃O₂
Molecular Weight 257.38
Synonym(s) None
SMILES O=C(OC(C)(C)C)NCCCCN1CCNCC1

Description

tert-Butyl (4-(piperazin-1-yl)butyl)carbamate features a piperazine-bearing aliphatic chain with a robust tert-butyl carbamate protecting group. This moiety delivers enhanced solubility and stability under standard conditions, enabling efficient incorporation into complex molecular architectures. The protected amine facilitates straightforward deprotection during late-stage functionalization, streamlining synthetic access to bioactive amines.

Application

tert-Butyl (4-(piperazin-1-yl)butyl)carbamate serves as a versatile bifunctional building block, enabling efficient introduction of both piperazinyl and amine functionalities in synthetic sequences. The tert-butyl carbamate group provides robust protection for primary amines with orthogonal stability under standard reaction conditions, facilitating selective transformations. Its pendant piperazine moiety offers a polar, basic site compatible with diverse coupling reactions and metal-catalyzed processes. This scaffold is widely employed in medicinal chemistry for constructing bioactive heterocycles, particularly in the development of kinase inhibitors and CNS-targeted compounds, due to its favorable solubility and metabolic stability profile.

Synthesis

Route1
- 877664-86-3
- ~93%
- In-stock
  
  874831-61-5
References
- JOHNSON, Michael, R. Patent: WO2006/23617 A2, 2006 ; Location in patent: Page/Page column 52 ; WO 2006/023617 A2

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS05
Signal Word : Danger	UN#: 2735
Class : 8	Packing Group : Ⅲ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 53.6
LogP 1.1965
H_Acceptors 4
H_Donors 2
Rotatable_Bonds 5

Other Classifications

Building Blocks Functional Group Amine

Building Blocks Skeleton Aliphatic heterocycle compounds Piperazine compounds

Key Words

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tert-Butyl (4-(piperazin-1-yl)butyl)carbamate

CAS No. 874831-61-5

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