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550363-85-4 | 2-FLUORO-5-FORMYLBENZOIC ACID 95

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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...
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CAS:550363-85-4 | 2-FLUORO-5-FORMYLBENZOIC ACID 95,Description

 

Synthesis Analysis

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.

Molecular Structure Analysis

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.

Chemical Reactions Analysis

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.

Physical and Chemical Properties Analysis

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.

Scientific Research Applications

 

  • Pharmaceutical Industry

    • 2-Fluoro-5-formylbenzoic acid is used as a precursor in the synthesis of various pharmaceuticals. This includes antihistamines and antidepressants.
    • The specific methods of application or experimental procedures would depend on the specific pharmaceutical being synthesized. Generally, this compound would be used in a reaction to form a part of the final pharmaceutical compound.
    • The results or outcomes obtained would also depend on the specific pharmaceutical being synthesized. In general, the use of this compound would result in the successful synthesis of the desired pharmaceutical.
  • Chemical Industry

    • This compound is also used in the synthesis of dyes and pigments.
  • Pharmaceutical Industry

    • 2-Fluoro-5-formylbenzoic acid is used as a precursor in the synthesis of various pharmaceuticals. This includes antihistamines and antidepressants.
    • The specific methods of application or experimental procedures would depend on the specific pharmaceutical being synthesized. Generally, this compound would be used in a reaction to form a part of the final pharmaceutical compound.
    • The results or outcomes obtained would also depend on the specific pharmaceutical being synthesized. In general, the use of this compound would result in the successful synthesis of the desired pharmaceutical.
  • Chemical Industry

    • This compound is also used in the synthesis of dyes and pigments.
    • Again, the specific methods of application or experimental procedures would depend on the specific dye or pigment being synthesized. Generally, this compound would be used in a reaction to form a part of the final dye or pigment.
    • The results or outcomes obtained would also depend on the specific dye or pigment being synthesized. In general, the use of this compound would result in the successful synthesis of the desired dye or pigment.
  • Antimicrobial Agents

    • 2-Fluoro-5-formylbenzoic acid is used as a precursor in the synthesis of various antimicrobial agents.
    • The specific methods of application or experimental procedures would depend on the specific antimicrobial agent being synthesized. Generally, this compound would be used in a reaction to form a part of the final antimicrobial compound.
    • The results or outcomes obtained would also depend on the specific antimicrobial agent being synthesized. In general, the use of this compound would result in the successful synthesis of the desired antimicrobial agent.
  • Proteomics Research

    • This compound is used in proteomics research. Proteomics is the large-scale study of proteins, particularly their structures and functions. 2-Fluoro-5-formylbenzoic acid could be used in various ways in this field, such as in the synthesis of peptides or other compounds used in proteomics research.
    • The specific methods of application or experimental procedures would depend on the specific context in which this compound is being used in proteomics research.
    • The results or outcomes obtained would also depend on the specific context in which this compound is being used in proteomics research.
  • Preparation of Polymers, Resins, and Plastics

    • 2-Fluoro-5-formylbenzoic acid is used as an intermediate in the preparation of various polymers, resins, and plastics.
    • The specific methods of application or experimental procedures would depend on the specific polymer, resin, or plastic being prepared. Generally, this compound would be used in a reaction to form a part of the final polymer, resin, or plastic.
    • The results or outcomes obtained would also depend on the specific polymer, resin, or plastic being prepared. In general, the use of this compound would result in the successful preparation of the desired polymer, resin, or plastic.

Safety And Hazards

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.

More Information

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
pka2.92±0.10(Predicted)
InChIInChI=1S/C8H5FO3/c9-7-2-1-5(4-10)3-6(7)8(11)12/h1-4H,(H,11,12)
InChIKeyXZUFXXPSLGVLFC-UHFFFAOYSA-N
SMILESC(O)(=O)C1=CC(C=O)=CC=C1F

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