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Purchase CAS:550363-85-4 | 2-FLUORO-5-FORMYLBENZOIC ACID 95,view related peer-reviewed papers,technical documents,similar products,MSDS & more.Synthesis AnalysisThe synthesis of fluorinated benzoic acid derivatives is a topic of interest due to their potential applications in medicinal chemistry and materials science. For instance, the synthesis of 2-fluoro-6-iodobenzoic acid is achieved through a series of steps starting from 2-amino-6-fl...
The synthesis of fluorinated benzoic acid derivatives is a topic of interest due to their potential applications in medicinal chemistry and materials science. For instance, the synthesis of 2-fluoro-6-iodobenzoic acid is achieved through a series of steps starting from 2-amino-6-fluorobenzoic acid, involving protection of the carboxyl group, diazotization, iodosubstitution, and deprotection, resulting in a high purity product suitable for commercial scale production. Similarly, the synthesis of methyl 2-amino-5-fluorobenzoate involves nitrification, esterification, and hydronation of 3-fluorobenzoic acid, with an optimized synthesis route yielding a high purity product. These methods could potentially be adapted for the synthesis of 2-fluoro-5-formylbenzoic acid.
The molecular structure of fluorinated benzoic acid derivatives can vary significantly. For example, the structure of 3-[3-(2-fluorobenzoyl)thioureido]propionic acid shows a trans-cis conformation with respect to the thiono C=S bond and features intramolecular hydrogen bonding. X-ray analyses of functionalized 2-formylphenylboronic acids reveal diverse solid-state molecular structures, including planar and cyclic forms, depending on the substituents present. These findings suggest that the molecular structure of 2-fluoro-5-formylbenzoic acid would also be influenced by its functional groups and could exhibit interesting conformational characteristics.
Fluorinated benzoic acid derivatives participate in various chemical reactions. For instance, 4-chloro-2-fluoro-5-nitrobenzoic acid is used as a multireactive building block for the synthesis of various heterocyclic scaffolds, demonstrating its versatility in heterocyclic oriented synthesis. The reactivity of such compounds is often exploited in the development of pharmaceuticals and imaging agents, as seen with fluorinated 2-arylbenzothiazoles being investigated as potential PET cancer imaging agents. These examples indicate that 2-fluoro-5-formylbenzoic acid could also be a valuable intermediate for the synthesis of heterocyclic compounds and other chemical entities.
The physical and chemical properties of fluorinated benzoic acid derivatives are crucial for their practical applications. The thermal behavior of lanthanide complexes with 2-fluorobenzoic acid has been studied, showing stability up to 450 K. The presence of fluorine atoms in the molecular structure can significantly affect the acidity, reactivity, and overall stability of the benzoic acid derivatives. The properties of 2-fluoro-5-formylbenzoic acid would likely be influenced by the electron-withdrawing effects of the fluorine and formyl groups, potentially leading to unique reactivity and stability profiles.
2-Fluoro-5-formylbenzoic acid is classified as a warning hazard. It is advised to avoid dust formation, breathing mist, gas or vapours, and contact with skin and eyes. Personal protective equipment and face protection should be worn when handling this compound.
Product Name: | 2-FLUORO-5-FORMYLBENZOIC ACID 95 |
Synonyms: | 2-FLUORO-5-FORMYLBENZOIC ACID 95;2-Fluoro-5-formylbenzoic acid 95%;3-Carboxy-4-fluorobenzaldehyde;5-(1,3-dioxolan-2-yl)-2-fluorobenzoic acid;Olaparib Imp.33;Benzoic acid, 2-fluoro-5-formyl-;2-FLUORO-5-FORMYLBENZOIC ACID 95 ISO 9001:2015 REACH |
CAS: | 550363-85-4 |
MF: | C8H5FO3 |
MW: | 168.12 |
EINECS: | |
Product Categories: | john's |
Mol File: | 550363-85-4.mol |
2-FLUORO-5-FORMYLBENZOIC ACID 95 Chemical Properties |
Melting point | 174.5-178.5 |
Boiling point | 330.9±27.0 °C(Predicted) |
density | 1.426±0.06 g/cm3(Predicted) |
storage temp. | under inert gas (nitrogen or Argon) at 2-8°C |
pka | 2.92±0.10(Predicted) |
InChI | InChI=1S/C8H5FO3/c9-7-2-1-5(4-10)3-6(7)8(11)12/h1-4H,(H,11,12) |
InChIKey | XZUFXXPSLGVLFC-UHFFFAOYSA-N |
SMILES | C(O)(=O)C1=CC(C=O)=CC=C1F |