1-Boc-4-(4-Carboxybenzyl)piperazine

Name: 1-Boc-4-(4-Carboxybenzyl)piperazine
Brand: ChemScene
Availability: InStock
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CAS No. 479353-63-4
Cat. No. CS-0154686
Purity≥98%
MDL No.MFCD04974012

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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1-Boc-4-(4-Carboxybenzyl)piperazine|CS-0154686

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General Information

CAS No. 479353-63-4
Cat. No. CS-0154686
Purity ≥98%
MDL No. MFCD04974012
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₇H₂₄N₂O₄
Molecular Weight 320.39
Synonym(s) None
SMILES O=C(O)C1=CC=C(C=C1)CN2CCN(C(=O)OC(C)(C)C)CC2

Description

1-Boc-4-(4-carboxybenzyl)piperazine features a protected piperazine core linked to a para-carboxybenzyl moiety, enabling direct conjugation in peptide and macrocyclic synthesis. The Boc group ensures stability during reaction sequences, while the carboxylic acid facilitates amide coupling or derivatization under standard conditions.

Application

1-Boc-4-(4-carboxybenzyl)piperazine serves as a versatile building block for medicinal chemistry and peptide conjugation, enabling direct incorporation of a carboxylic acid-functionalized piperazine motif. The Boc group provides excellent bench stability and orthogonal protection, facilitating selective deprotection under mild acidic conditions. It readily participates in amide coupling reactions and functions as a key scaffold in the synthesis of bioactive molecules, including kinase inhibitors and GPCR modulators, with high functional group tolerance and ease of purification.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 70.08
LogP 2.4375
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aliphatic heterocycle compounds Piperazine compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-Boc-4-(4-Carboxybenzyl)piperazine

CAS No. 479353-63-4

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