1-Benzyl 4-(tert-butyl) (S)-2-(hydroxymethyl)piperazine-1,4-dicarboxylate

Name: 1-Benzyl 4-(tert-butyl) (S)-2-(hydroxymethyl)piperazine-1,4-dicarboxylate
Brand: ChemScene
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CAS No. 529516-61-8
Cat. No. CS-0105459
Molecule weight350.41
Purity≥95%
MDL No.MFCD09971767

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1-Benzyl 4-(tert-butyl) (S)-2-(hydroxymethyl)piperazine-1,4-dicarboxylate|CS-0105459

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General Information

CAS No. 529516-61-8
Cat. No. CS-0105459
Purity ≥95%
MDL No. MFCD09971767
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₈H₂₆N₂O₅
Molecular Weight 350.41
Synonym(s) (S)-1-BENZYL 4-TERT-BUTYL 2-(HYDROXYMETHYL)PIPERAZINE-1,4-DICARBOXYLATE
SMILES O=C(N1[C@H](CO)CN(C(OC(C)(C)C)=O)CC1)OCC2=CC=CC=C2

Description

This chiral piperazine derivative features a tert-butyl group and benzyl ester protecting groups, enabling stable incorporation into complex molecular architectures. The hydroxymethyl substituent at the 2-position provides a versatile handle for further functionalization, while the (S)-stereochemistry ensures high enantioselectivity in downstream transformations. Designed for synthetic precision in medicinal chemistry applications.

Application

1-Benzyl 4-(tert-butyl) (S)-2-(hydroxymethyl)piperazine-1,4-dicarboxylate serves as a versatile chiral building block for the synthesis of piperazine-based pharmaceutical intermediates. Its orthogonal functional groups enable selective derivatization in medicinal chemistry workflows. The tert-butyl ester provides stability and ease of purification, while the hydroxymethyl group offers a handle for further functionalization. Bench-stable and compatible with standard coupling conditions, it facilitates efficient access to complex heterocyclic scaffolds.

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-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 79.31
LogP 2.2368
H_Acceptors 5
H_Donors 1
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Alcohol

Building Blocks Skeleton Aliphatic heterocycle compounds Piperazine compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

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1-Benzyl 4-(tert-butyl) (S)-2-(hydroxymethyl)piperazine-1,4-dicarboxylate

CAS No. 529516-61-8

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