2378-02-1 | Perfluoro-tert-butanol

CAS:2378-02-1 | Perfluoro-tert-butanol ,Description

Perfluoro-tert-butanol (FTB) is a fluorinated organic compound that can be used in a variety of lab experiments. It is an important synthetic material that has a wide range of applications in various scientific fields. FTB is a colorless, odorless, and non-toxic liquid with a low vapor pressure. It is insoluble in water and most organic solvents, but is soluble in some fluorinated solvents. It is also highly resistant to oxidation and hydrolysis. FTB has a wide variety of uses in the lab, from synthesis of organic compounds to extraction of analytes from aqueous solutions.
 

Scientific Research Applications

Liquid Structure Analysis

Perfluoro tert-butanol (TBF) is used in the study of liquid structure. A 2021 research by Cabaço et al. explored its state of aggregation in room temperature liquid, using vibrational spectroscopy and X-ray diffraction, analyzed by quantum DFT calculations and Molecular Dynamics simulations. The study revealed that TBF mainly consists of monomers and dimers, contrasting with its hydrogenated homologue, TBH, which has larger oligomers (Cabaço et al., 2021) .

Application in Medicinal Chemistry

Tressler and Zondlo (2014) synthesized two types of perfluoro-tert-butyl 4-hydroxyproline, which were incorporated in model peptides. These amino acids showed distinct conformational preferences and were detected by 19F NMR, indicating their potential use in probes and medicinal chemistry (Tressler & Zondlo, 2014).

Transition Metal Carbonyl Complexes

A study by Lokshin et al. (1988) explored the hydrogen bond formation of perfluoro-tert-butanol with transition metal carbonyl π complexes. It provided insights into the basicity of the O atom of the CO group in these complexes (Lokshin, Kazaryan, & Ginzburg, 1988).

19F NMR Spectroscopy

Perfluoro-tert-butanol is used in 19F NMR spectroscopy due to its nine chemically equivalent fluorines. Tressler and Zondlo (2016) demonstrated its use in the synthesis of Fmoc-perfluoro-tert-butyl tyrosine, detectable in peptides by NMR at low concentrations (Tressler & Zondlo, 2016).

Hydrogen Bonded Hetero Dimers Analysis

Cabaço et al. (2021) also studied the hydrogen bonded hetero dimers formed by TBF with hydrogenated alcohols, using infrared spectroscopy and DFT calculations. This study provides valuable insights into the intermolecular interactions of TBF in the gas phase (Cabaço et al., 2021) .

Fluoroalkylation

Wang et al. (2021) reported a method for perfluoro-tert-butylation reactions, utilizing 1,1-dibromo-2,2bis(trifluoromethyl)ethylene (DBBF) and CsF. This method demonstrates the use of perfluoro-tert-butanol in synthesizing structurally diverse perfluoro tert-butylated molecules, highlighting its potential in synthetic chemistry (Wang et al., 2021).

Investigation of Alcohol Networks

A 2022 study by Cabaço et al. assessed the state of aggregation of tert-butanol and perfluoro tert-butanol mixtures, using Raman and infrared spectroscopy and X-ray diffraction. The study found that TBF is a structure breaker of hydrogen-bonded alcohol networks (Cabaço et al., 2022) .

Protein-Protein Interaction Probes

Tressler and Zondlo (2017) utilized perfluoro-tert-butyl homoserine in peptides to study protein-protein interactions via 19F NMR spectroscopy. This demonstrated the potential of perfluoro-tert-butanol derivatives in probing biological processes (Tressler & Zondlo, 2017).

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