57332-75-9

Basic information

• Product Name: Imidazo[2,1-b]thiazol-6-yl-aceticacid
• Synonyms: imidazo[2,1-b][1,3]thiazol-6-ylacetic acid(SALTDATA: HCl H2O);IMidazo[2,1-b][1,3]thiazol-6-ylacetic acid;2-(imidazo[2,1-b]thiazol-6-yl)acetic acid;2-{Imidazo[2,1-b][1,3]thiazol-6-yl}acetic acid
• CAS NO: 57332-75-9
• Molecular Formula: C7H6N2O2S
• Molecular Weight: 182.2
• Mol File: 57332-75-9.mol
• Article Data: 4

Chemical Properties

• Melting Point: 185-187 °C(Solv: ethanol (64-17-5))
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Appearance: /
• Density: 1.61g/cm³
• PKA: 1.87±0.10(Predicted)
• CAS DataBase Reference: Imidazo[2,1-b]thiazol-6-yl-aceticacid(CAS DataBase Reference)
• NIST Chemistry Reference: Imidazo[2,1-b]thiazol-6-yl-aceticacid(57332-75-9)
• EPA Substance Registry System: Imidazo[2,1-b]thiazol-6-yl-aceticacid(57332-75-9)

Safety Data

• Hazardous Substances Data: 57332-75-9(Hazardous Substances Data)

Usage

InChI:InChI=1/C7H6N2O2S/c10-6(11)3-5-4-9-1-2-12-7(9)8-5/h1-2,4H,3H2,(H,10,11)/p-1

Upstream product

• 57626-34-3 2-amino-3-(3-ethoxycarbonyl-2-oxo-propyl)-thiazolium; bromide 
• 57332-73-7 ethyl imidazo<2,1-b>thiazole-6-acetate 

Relevant articles and documents

Synthesis, crystal structures and spectral characterization of imidazo[1,2-a]pyrimidin-2-yl-acetic acid and related analog with imidazo[2,1-b]thiazole ring

Imidazo[1,2-a]pyrimidin-2-yl-acetic acid (HIPM-2-ac) and its analog with imidazo[2,1-b]thiazole ring (HITZ-6-ac) were synthesized and structurally characterized by single-crystal X-ray diffraction corroborated with calculations of Hirshfeld surfaces, which provided detailed insight into intermolecular interactions constituting both crystals. The IR and Raman spectra of HIPM-2-ac and HITZ-6-ac were recorded and interpreted in details with the aid of Density Functional Theory (DFT) calculations and Potential Energy Distribution (PED) analysis of computed normal vibrations. Special attention was paid on hydroxyl and methylene groups involved in hydrogen bonds, which vibrations were monitored by H/D substitution. Recrystallization of parent compounds from deuterium oxide (D2O) solutions resulted in deuteration of their carboxylic OH groups and almost complete deuteration of HIPM-2-ac methylene group. The latter phenomenon is clearly reflected in the vibrational spectra and confirmed by 1H NMR experiments in solution.

Research on heterocyclic compounds. V

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