tert-Butyl 2-(2-oxopiperazin-1-yl)acetate

Name: tert-Butyl 2-(2-oxopiperazin-1-yl)acetate
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CAS No. 176371-67-8
Cat. No. CS-0104225
Purity≥95%
MDL No.MFCD24556227

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tert-Butyl 2-(2-oxopiperazin-1-yl)acetate|CS-0104225

Structure of 176371-67-8

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General Information

CAS No. 176371-67-8
Cat. No. CS-0104225
Purity ≥95%
MDL No. MFCD24556227
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₈N₂O₃
Molecular Weight 214.26
Synonym(s) None
SMILES O=C(OC(C)(C)C)CN1C(CNCC1)=O

Description

tert-Butyl 2-(2-oxopiperazin-1-yl)acetate features a piperazinone core flanked by a tert-butyl ester, delivering a bench-stable, moisture-tolerant scaffold for medicinal chemistry. This compound integrates readily into peptide and small-molecule libraries, enabling efficient access to bioactive heterocycles through straightforward deprotection and functionalization pathways.

Application

tert-Butyl 2-(2-oxopiperazin-1-yl)acetate serves as a versatile building block in medicinal chemistry, enabling the efficient synthesis of piperazinone-containing scaffolds. The tert-butyl ester group provides excellent bench stability and facilitates straightforward deprotection under mild acidic conditions. Its reactive acetyl moiety readily participates in nucleophilic substitution and condensation reactions, supporting diverse functionalization for target-oriented synthesis.

Safety Information

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GHS Pictogram :	GHS No : GHS06
Signal Word : Danger	UN#: 2811
Class : 6.1	Packing Group : Ⅰ
Hazard Statements : H310-H319
Precautionary Statements : P262-P264-P270-P280-P302+P352-P361+P364-P405-P501

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Computational Chemistry Data

TPSA 58.64
LogP -0.2401
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Skeleton Aliphatic heterocycle compounds Piperazine compounds

Key Words

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tert-Butyl 2-(2-oxopiperazin-1-yl)acetate

CAS No. 176371-67-8

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