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2-(tert-Butyl)thiazole-5-carboxylic acid

  • CAS No. 1012881-39-8

  • Cat. No. CS-0254709
  • Molecule weight185.24
  • Purity≥98%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

2-(tert-Butyl)thiazole-5-carboxylic acid|CS-0254709

Structure of 1012881-39-8

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General Information

  • CAS No. 1012881-39-8
  • Cat. No. CS-0254709
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₁NO₂S
  • Molecular Weight 185.24
  • Synonym(s) 2-Tert-butyl-1,3-thiazole-5-carboxylic acid
  • SMILES O=C(C1=CN=C(C(C)(C)C)S1)O

Description

2-(tert-Butyl)thiazole-5-carboxylic acid features a sterically hindered tert-butyl group that enhances solubility and stability in organic media. The electron-deficient thiazole ring facilitates efficient coupling reactions, while the carboxylic acid moiety enables direct conjugation or derivatization under standard conditions. This compound serves as a key building block in medicinal chemistry and materials science applications.

Application

2-(tert-Butyl)thiazole-5-carboxylic acid serves as a versatile building block in medicinal chemistry and agrochemical synthesis, offering a robust scaffold for C–H functionalization and transition-metal-catalyzed coupling reactions. The tert-butyl group enhances steric bulk and metabolic stability, while the carboxylic acid functionality enables direct derivatization or incorporation into peptide-like motifs. Its bench-stable nature and compatibility with standard purification methods facilitate efficient downstream processing in multi-step syntheses.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   50.19
  • LogP   2.1388
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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