2714-92-3

Basic information

• Product Name: 3-fluorophenyl benzoate
• CAS NO: 2714-92-3
• Molecular Formula: C₁₃H₉FO₂
• Molecular Weight: 216.2078
• Mol File: 2714-92-3.mol

Chemical Properties

• Boiling Point: 313.2°C at 760 mmHg
• Flash Point: 138.6°C
• Density: 1.221g/cm³
• Vapor Pressure: 0.000505mmHg at 25°C
• Refractive Index: 1.567
• CAS DataBase Reference: 3-fluorophenyl benzoate(CAS DataBase Reference)
• NIST Chemistry Reference: 3-fluorophenyl benzoate(2714-92-3)
• EPA Substance Registry System: 3-fluorophenyl benzoate(2714-92-3)

Safety Data

• Hazardous Substances Data: 2714-92-3(Hazardous Substances Data)

Upstream product

• 1121-86-4 1-Fluoro-3-iodobenzene 
• 65-85-0 benzoic acid 
• 372-20-3 3-fluorophenol 
• 98-88-4 benzoyl chloride 
• 372-18-9 1,3-Difluorobenzene 
• 94-36-0 dibenzoyl peroxide 

Downstream Products

• 57606-63-0 3-fluorophenyl methane sulfonate 
• 169781-83-3 (4-fluoro-2-hydroxyphenyl)(phenyl)methanone 
• 179018-59-8 [2-fluoro-4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-phenyl-methanone 
• 179019-03-5 [2-fluoro-4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-phenyl-methanol 
• 179018-47-4 2-fluoro-4-hydroxybenzophenone 

Relevant articles and documents

Method for preparing carboxylate aryl type compound

The invention belongs to the field of drug synthesis and in particular relates to a method for preparing a carboxylate aryltype compound. The preparation method provided by the invention comprises thefollowing steps: providing a compound A of a formula a shown in the description, a compound B of a formula b shown in the description, an organic palladium complex, and a silver salt, wherein the organic palladium complex is composed of a palladium compound and a nitrogen-containing ligand; the nitrogen-containing ligand comprises an o-phenoline compound and/or a bipyridine compound; and mixing the compound A, the compound B, the organic palladium complex and the silver salt in a reaction solvent, and performing a reaction in an inert gas atmosphere, so as to obtain the carboxylate aryl typecompound of a formula I shown in the description. As the organic palladium complex and the silver salt are simultaneously used, direct selectivity C-O coupling of carboxylic acid and halogenated aromatic hydrocarbon is realized, and the method is applicable to a variety of carboxylic acid substrates and halogenated aromatic substrates, and is wide in compatibility and high in yield.

Evaluation of the role of isostructurality in fluorinated phenyl benzoates

In this report, the occurrence of three-, two-, and one-dimensional (3D, 2D, and 1D) isostructurality in phenyl benzoate (D00) and their fluorinated analogues was investigated in terms of their molecular assembly in solid state structures. A onedimensional C-H?O=C chain is observed as a robust motif (～ -21 kJ/mol) in the formation of the supramolecular architectures in these isostructural compounds. The isomorphous crystal structures exhibit 3D isostructurality or vice versa. The crystal packing shows that weak intermolecular C-H ? F, C-H ? O, C- H ? π interactions, and π ? π stacking are the main contributors providing stability toward the crystal lattice. The nature and energetics of all the geometrically or energetically equivalent building blocks associated with similar or different intermolecular interactions delineate the role of different molecular pairs in the crystal structures. The fingerprint plots of the isostructural set of crystal structures help to understand the similarities and the differences in the various interatomic contacts. A comparison of these crystal structures with fluorinated N-phenyl benzamides shows the change in supramolecular assembly in terms of intermolecular interactions as well as the lattice energy due to the participation of a strong donor (N-H).

Systematic study of the luminescent europium-based nonanuclear clusters with modified 2-hydroxybenzophenone ligands

The reaction of 2-hydroxybenzophenone derivatives with europium ions has afforded a new family of luminescent nonanuclear Eu(III) clusters. Crystal structure analysis of the clusters reveals that the metal core comprises two vertex-sharing square pyramida

Influence of substituents on the infrared stretching frequencies of carbonyl group in esters of benzoic acid

Infrared spectra of 25 substituted phenyl esters of benzoic acid C 6H5CO2C6H4-X (X=H, 3-Cl, 3-F, 3-CN, 3-NO2, 3-CH3, 3-OH, 3-NH2, 4-Cl, 4-F, 4-NO2, 4-CN, 4-

Structure-activity relationship studies on 1-[2-(4- phenylphenoxy)ethyl]pyrrolidine (SC-22716), a potent inhibitor of leukotriene A4 (LTA4) hydrolase

Leukotriene B4 (LTB4) is a pro-inflammatory mediator that has been implicated in the pathogenesis of a number of diseases including inflammatory bowel disease (IBD) and psoriasis. Since the action of LTA4 hydrolase is the rate-limiting step for LTB4 production, this enzyme represents an attractive pharmacological target for the suppression of LTB4 production. From an in- house screening program, SC-22716 (1, 1-[2-(4- phenylphenoxy)ethyl]pyrrolidine) was identified as a potent inhibitor of LTA4 hydrolase. Structure-activity relationship (SAR) studies around this structural class resulted in the identification of a number of novel, potent inhibitors of LTA4 hydrolase, several of which demonstrated good oral activity in a mouse ex vivo whole blood assay.

Homolytic Reactions of Polyfluoroaromatic Compounds. Part 16. Competitive Phenylation of Polyfluorobenzenes

Pairs of polyfluorobenzenes were allowed to compete for phenyl radicals generated by thermolysis of benzoyl peroxide at 80 deg C.From the relative yields of biaryl, and the yields of each biaryl formed upon arylation of each arene individually, the relative rates of attack of each site in each arene were deduced.Neither iron(III) benzoate nor trichloroacetic acid uniformly improved yields of biaryl, although in some cases the isomer distribution altered, when decomposition of benzoyl peroxide was carried out in the presence of such additives, to favour products of aryldehydrogenation or of aryldefluorination, respectively.Competition did not usually affect the distribution of attack of a particular arene, except when hexafluorobenzene was used, in which case greater selectivity of attack of the second arene occured.This suggested the formation of a 'stabilised' phenyl radical, and supported an earlier suggestion of species such as >; other evidence also supported the postulate.