tert-Butyl 4-(4-formylbenzyl)piperazine-1-carboxylate

Name: tert-Butyl 4-(4-formylbenzyl)piperazine-1-carboxylate
Brand: ChemScene
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CAS No. 844891-09-4
Cat. No. CS-0141327
Purity≥98%
MDL No.None

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tert-Butyl 4-(4-formylbenzyl)piperazine-1-carboxylate|CS-0141327

Structure of 844891-09-4

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General Information

CAS No. 844891-09-4
Cat. No. CS-0141327
Purity ≥98%
MDL No. None
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₇H₂₄N₂O₃
Molecular Weight 304.38
Synonym(s) tert-Butyl 4-(4-formylbenzyl)piperazine-1-carboxylate, 4-{[4-(tert-Butoxycarbonyl)piperazin-1-yl]methyl}benzaldehyde
SMILES O=C(N1CCN(CC2=CC=C(C=O)C=C2)CC1)OC(C)(C)C

Description

tert-Butyl 4-(4-formylbenzyl)piperazine-1-carboxylate features a piperazine core functionalized with a formyl-substituted benzyl group and a tert-butoxycarbonyl protecting group. This bifunctional scaffold enables direct coupling in amide bond formation and facilitates conjugation via aldehyde reactivity, streamlining access to bioactive molecules in medicinal chemistry workflows.

Application

tert-Butyl 4-(4-formylbenzyl)piperazine-1-carboxylate serves as a versatile building block for the synthesis of biologically active piperazine derivatives. The pendant aldehyde group enables efficient reductive amination, imine formation, and conjugate addition reactions, while the tert-butoxycarbonyl (Boc) group provides orthogonal protection for piperazine nitrogen. Its bench-stable nature and compatibility with standard coupling and functionalization protocols make it ideal for medicinal chemistry and process development workflows.

Safety Information

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GHS Pictogram :	GHS No : GHS05
Signal Word : Danger	UN#: 3259
Class : 8	Packing Group : Ⅲ
Hazard Statements : H314-H318
Precautionary Statements : P260-P264-P280-P304+P340-P330-P331-P363-P405-P501

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Computational Chemistry Data

TPSA 49.85
LogP 2.5518
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Aldehyde

Building Blocks Skeleton Aliphatic heterocycle compounds Piperazine compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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tert-Butyl 4-(4-formylbenzyl)piperazine-1-carboxylate

CAS No. 844891-09-4

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