1217500-53-2 | 2-Benzyloxy-6-fluorophenylboronic acid

CAS:1217500-53-2 | 2-Benzyloxy-6-fluorophenylboronic acid,Description

2-Benzyloxy-6-fluorophenylboronic acid is a chemical compound with the molecular formula C13H12BFO3. It has an average mass of 246.042 Da and a monoisotopic mass of 246.086349 Da. This compound is also known by its IUPAC name, [2-(Benzyloxy)-6-fluorophenyl]boronic acid.

Molecular Structure Analysis

The InChI code for 2-Benzyloxy-6-fluorophenylboronic acid is 1S/C13H12BFO3/c15-11-7-4-8-12(13(11)14(16)17)18-9-10-5-2-1-3-6-10/h1-8,16-17H,9H2. This indicates the specific arrangement of atoms and bonds in the molecule.

Chemical Reactions Analysis

While specific chemical reactions involving 2-Benzyloxy-6-fluorophenylboronic acid are not available, boronic acids are known to be involved in various types of coupling reactions, such as the Suzuki-Miyaura coupling.

Physical And Chemical Properties Analysis

This compound has a predicted density of 1.26±0.1 g/cm3 and a boiling point of 416.2±55.0 °C. It also has several other properties such as a molar refractivity of 64.5±0.4 cm3, a polar surface area of 50 Å2, and a molar volume of 194.4±5.0 cm3.

Scientific Research Applications

“2-Benzyloxy-6-fluorophenylboronic acid” is a chemical compound with the molecular formula C13H12BFO3. This compound is often used in scientific research, particularly in the field of chemistry.

• Suzuki–Miyaura Coupling 
  • This is a type of cross-coupling reaction, used widely in organic chemistry for the synthesis of various organic compounds. The boronic acid acts as a reagent in this reaction.
  • The Suzuki–Miyaura coupling reaction conjoins chemically differentiated fragments that participate in electronically divergent processes with the metal catalyst.
  • The methods of application involve the use of a palladium catalyst, an organoboron compound (like our boronic acid), and an organic halide.
  • The outcomes of this reaction are biaryl compounds, which are commonly found in pharmaceuticals and organic materials.
• Preparation of Phenylboronic Catechol Esters 
  • These esters are promising anion receptors for polymer electrolytes.
  • The preparation involves the reaction of the boronic acid with catechol under suitable conditions.
  • The outcomes include the formation of phenylboronic catechol esters, which have potential applications in the development of polymer electrolytes.
• Synthesis of o-Phenylphenols 
  • These compounds are potent leukotriene B4 receptor agonists.
  • The synthesis involves the reaction of the boronic acid with other suitable reagents.
  • The outcomes include the formation of o-phenylphenols, which have potential applications in medicinal chemistry.
• Preparation of Liquid Crystalline Fluorobiphenylcyclohexenes and Difluoroterphenyls 
  • This is a process used in the field of materials science.
  • The preparation involves palladium-catalyzed cross-couplings.
  • The outcomes include the formation of novel liquid crystalline fluorobiphenylcyclohexenes and difluoroterphenyls.
• Diastereoselective Synthesis of Trisubstituted Allylic Alcohols 
  • This is a process used in the field of organic chemistry.
  • The synthesis involves rhodium-catalyzed arylation.
  • The outcomes include the formation of trisubstituted allylic alcohols.
• Rhodium- and Palladium-catalyzed Substitution Reactions 
  • This is a process used in the field of organic chemistry.
  • The methods of application involve the use of rhodium and palladium catalysts.
  • The outcomes include the formation of various organic compounds.

Safety And Hazards

The safety information for 2-Benzyloxy-6-fluorophenylboronic acid indicates that it has the GHS07 pictogram and the signal word "Warning". Hazard statements include H302, H315, H319, H335, and precautionary statements include P261, P305, P338, P351. It’s recommended to avoid dust formation, breathing mist, gas or vapors, and contact with skin and eyes.

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