462-43-1 | 3-Fluoropropan-1-ol

CAS:462-43-1 | 3-Fluoropropan-1-ol ,Description

3-Fluoropropan-1-ol, also known as 1-Fluoro-3-propanol and 1-Fluoro-2-methylpropane-1-ol, is a colorless liquid with a sweet, fruity odor. It is an important intermediate in organic synthesis and has a wide range of applications in medicine, agriculture, and industry. 3-Fluoropropan-1-ol is a versatile reagent and can be used as a starting material for the synthesis of a variety of compounds, including pharmaceuticals, agrochemicals, and polymers.
 

Scientific Research Applications

Conformational Analysis

3-Fluoropropan-1-ol exhibits interesting conformational behaviors due to its potential for internal hydrogen bonding. Richardson and Hedberg (2001) conducted a detailed study using gas-phase electron-diffraction and ab initio molecular orbital investigations, revealing the presence of multiple rotational conformers of 3-fluoropropan-1-ol. They found that the g G − G form, where hydrogen and fluorine atoms are positioned to form a hydrogen bond, comprises a small percentage of the sample in the gas phase (Richardson & Hedberg, 2001).

Application in Lithium-Ion Batteries

1-Fluoropropane-2-one, a compound closely related to 3-fluoropropan-1-ol, has been investigated as an effective SEI (solid electrolyte interphase) forming additive in lithium-ion batteries. Krämer et al. (2012) studied its impact on graphite electrodes and found that it significantly improves first cycle efficiency, high rate performance, and long-term cycling stability (Krämer et al., 2012) .

Investigating Structural Stability

Badawi and Förner (2001) explored the structural stability and conformational behavior of 3-fluoropropanal, a derivative of 3-fluoropropan-1-ol. They employed ab initio calculations to predict the existence of stable conformers and rotational barriers, contributing to the understanding of the molecule's behavior in various states (Badawi & Förner, 2001).

Intramolecular Hydrogen Bonding

Linclau et al. (2015) demonstrated the occurrence of OH⋅⋅⋅F intramolecular hydrogen bonds (IMHBs) in acyclic saturated γ-fluorohydrins, including 3-fluoropropan-1-ol. This study provides insights into the impact of fluorination on the hydrogen-bonding properties of adjacent functional groups (Linclau et al., 2015) .

Enhancing Nucleic Acid Fluorescence

Research by Bigman et al. (2010) showed that 3-bromopropan-1-ol, a compound structurally similar to 3-fluoropropan-1-ol, can enhance the fluorescence yield of nucleic acids. This finding has practical applications in enzymology and fluorescence spectroscopy (Bigman, Quiñones, & Padilla, 2010).

Pressure-Freezing and Conformational Conversion

Gajda and Katrusiak (2008) studied the pressure-freezing of 3-aminopropan-1-ol, a derivative of 3-fluoropropan-1-ol. Their work, which involved single-crystal X-ray diffraction, provided valuable information about the conformational changes and structural characteristics under different pressures (Gajda & Katrusiak, 2008).

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