2-(4-(tert-Butoxycarbonyl)piperazin-1-yl)thiazole-4-carboxylic acid

Name: 2-(4-(tert-Butoxycarbonyl)piperazin-1-yl)thiazole-4-carboxylic acid
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CAS No. 668484-45-5
Cat. No. CS-0154695
Purity≥97%
MDL No.MFCD13193290

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2-(4-(tert-Butoxycarbonyl)piperazin-1-yl)thiazole-4-carboxylic acid|CS-0154695

Structure of 668484-45-5

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General Information

CAS No. 668484-45-5
Cat. No. CS-0154695
Purity ≥97%
MDL No. MFCD13193290
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₁₉N₃O₄S
Molecular Weight 313.37
Synonym(s) 2-[1-(tert-butoxycarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxylic acid
SMILES CC(C)(C)OC(=O)N1CCN(CC1)C2=NC(=CS2)C(=O)O

Description

This thiazole-based carboxylic acid features a tert-butyl-protected piperazine moiety, enabling straightforward deprotection and functionalization. The electron-deficient thiazole ring facilitates coupling reactions, while the pendant carboxylic acid supports conjugation in bioconjugation workflows. Designed for synthetic versatility in medicinal chemistry applications.

Application

2-(4-(tert-Butoxycarbonyl)piperazin-1-yl)thiazole-4-carboxylic acid serves as a versatile building block for medicinal chemistry, enabling the construction of thiazole-containing scaffolds via standard peptide coupling and Boc deprotection protocols. The piperazine moiety offers multiple sites for functionalization, while the carboxylic acid facilitates conjugation with amines or amine-containing intermediates. Its bench-stable nature and compatibility with common reaction conditions make it well-suited for iterative synthesis in API development.

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 82.97
LogP 1.8984
H_Acceptors 6
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aliphatic heterocycle compounds Piperazine compounds

Building Blocks Skeleton Aromatic heterocycle compounds Thiazole compounds

Key Words

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2-(4-(tert-Butoxycarbonyl)piperazin-1-yl)thiazole-4-carboxylic acid

CAS No. 668484-45-5

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