Category: 4522-93-4

《Synthesis and crystal structure differences between fully and partially fluorinated β-diketonate metal (Co2+, Ni2+, and Cu2+) complexes》 was published in International Journal of Inorganic Chemistry in 2011. These research results belong to Hori, Akiko; Mizutani, Masaya. Synthetic Route of C9H5F5O2 The article mentions the following:

Coordination complexes, [Co2(1)4(H2O)2] (2), [Ni2(1)4(H2O)2] (3), and [Cu(1)2] (4), by using an asym. and partially fluorinated 3-hydroxy-3-pentafluorophenyl-1-phenyl-2-propen-1-one (H1) were prepared, and the structures were studied to compare with the corresponding fully fluorinated complexes of [Co2(5)4(H2O)2] (6), [Ni2(5)4(H2O)2] (7), and [Cu(5)2] (8) with bis(pentafluorobenzoyl)methane (H5) and to understand the fluorine-substituted effects. While the coordination mode of the partially fluorinated complexes was quite similar to the fully fluorinated complexes, the intra- and inter-mol. π-interactions of the ligand moieties were highly influenced by the fluorination effects; the arene-perfluoroarene interactions were observed in complexes 2 and 3 as a reason of the dinucleation. The authors describe detail structures of the protonated form of the ligand, H1, and complexes 2-4 by x-ray crystallog. studies. In the experiment, the researchers used Ethyl 2,3,4,5,6-pentafluorobenzoate(cas: 4522-93-4Synthetic Route of C9H5F5O2)

Ethyl 2,3,4,5,6-pentafluorobenzoate(cas: 4522-93-4) belongs to esters.Synthetic Route of C9H5F5O2 They are important in biology, being one of the main classes of lipids and comprising the bulk of animal fats and vegetable oils.Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Quality Control of Ethyl 2,3,4,5,6-pentafluorobenzoateOn September 28, 2016 ,《Asymmetric Catalysis with Organic Azides and Diazo Compounds Initiated by Photoinduced Electron Transfer》 was published in Journal of the American Chemical Society. The article was written by Huang, Xiaoqiang; Webster, Richard D.; Harms, Klaus; Meggers, Eric. The article contains the following contents:

Electron-acceptor-substituted aryl azides and α-diazo carboxylic esters are used as substrates for visible-light-activated asym. α-amination and α-alkylation, resp., of 2-acyl imidazoles catalyzed by a chiral-at-metal rhodium-based Lewis acid in combination with a photoredox sensitizer. This novel proton- and redox-neutral method provides yields of up to 99% and excellent enantioselectivities of up to >99% ee with broad functional group compatibility. Mechanistic investigations suggest that an intermediate rhodium enolate complex acts as a reductive quencher to initiate a radical process with the aryl azides and α-diazo carboxylic esters serving as precursors for nitrogen and carbon-centered radicals, resp. This is the first report on using aryl azides and α-diazo carboxylic esters as substrates for asym. catalysis under photoredox conditions. These reagents have the advantage that mol. nitrogen is the leaving group and sole byproduct in this reaction. In the experimental materials used by the author, we found Ethyl 2,3,4,5,6-pentafluorobenzoate(cas: 4522-93-4Quality Control of Ethyl 2,3,4,5,6-pentafluorobenzoate)

Ethyl 2,3,4,5,6-pentafluorobenzoate(cas: 4522-93-4) belongs to esters. They are important in biology, being one of the main classes of lipids and comprising the bulk of animal fats and vegetable oils.Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones.Quality Control of Ethyl 2,3,4,5,6-pentafluorobenzoate

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Fornarini, Simonetta published an article on February 3 ,1988. The article was titled 《Positive evidence for tetrahedral R’C(OR)3H+ intermediates in the gas phase》, and you may find the article in Journal of the American Chemical Society.Computed Properties of C9H5F5O2 The information in the text is summarized as follows:

Cationic alcoholysis of esters was studied in the gas phase at nearly atm. pressures to establish a bridge between the predominant addition-elimination mechanism typical of carboxylic acid derivatives in solution and the concerted alkyl- (or acyl-)group transfer prevailing in ICR studies at low pressure. Operation of the 1st mechanism, involving tetrahedral intermediates, was inferred using CD3OD and Me18OH in radiolytic and chem.-ionization experiments and, most conclusively, by the actual isolation of neutral ortho esters, obtained by trapping the intermediate with a highly basic, poorly nucleophilic amine. Thus, gas-phase experiments lend themselves to meaningful correlation with solution-chem. data only at sufficiently high pressure. The experimental process involved the reaction of Ethyl 2,3,4,5,6-pentafluorobenzoate(cas: 4522-93-4Computed Properties of C9H5F5O2)

Ethyl 2,3,4,5,6-pentafluorobenzoate(cas: 4522-93-4) belongs to esters. They are important in biology, being one of the main classes of lipids and comprising the bulk of animal fats and vegetable oils. They perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market.Computed Properties of C9H5F5O2

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

《Pentafluorobenzoylacetic ester》 was published in Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya in 1965. These research results belong to Prudchenko, A. T.; Barkhash, V. A.; Vorozhtsov, N. N. Jr.. Product Details of 4522-93-4 The article mentions the following:

C6F5CO2H heated with EtOH-H2SO4 11 hrs. gave 75.8% Et ester (I), b5 63°, n20D 1.4252. The reaction mixture prepared from 1.02 g. Mg, 4.9 ml. absolute EtOH, 0.1 ml. CCl4, and 6.5 g. CH2(CO2Et)2 in Et2O, was treated with 10 g. C6F5-COCl to yield 65% C6F5COCH(CO2Et),2, b6 137°, n25D 1.4620. The crude ester steam distilled in dilute H2SO4 gave 38% C6F5CO-CH2CO2Et (II) (b4 103.5°, n21D 1.4604), which heated with Ph-NH2 in xylene gave the anilide, m. 148°. The reaction mixture Of 3 g. Mg, 13.8 g. EtBr, and 12.84 g. iso-Pr2NH was treated with 5.31 g. EtOAc and 14.9 g. I 3 hrs. to yield, after quenching in ice-H2SO4, 43% II. AcCH2CO2Et treated with Na-EtOH, then evaporated in vacuo at 100° gave after treatment with I 3 hrs. at 140-5° and finally at 180°, followed by treatment with dilute H2SO4, 55.7% di-Et 2,3,5,6-tetrafluorohomoterephthalate (b5 141-2°, n25D 1.4590), which in 4 hrs. with aqueous KOH saponified to give 77.2% free acid, m. 220-1° (H2O). This heated with Me2NCHO 1 hr. at 130-40° gave 40.4% 2,3,5,6-tetrafluorophenylacetic acid, m. 140.5-1.5° (C6H6). Ir and N.M.R. spectra of the products were reported. In the experiment, the researchers used many compounds, for example, Ethyl 2,3,4,5,6-pentafluorobenzoate(cas: 4522-93-4Product Details of 4522-93-4)

Ethyl 2,3,4,5,6-pentafluorobenzoate(cas: 4522-93-4) belongs to esters.Product Details of 4522-93-4 They are important in biology, being one of the main classes of lipids and comprising the bulk of animal fats and vegetable oils.Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Vinogradov, Andrei S.; Krasnov, Vyacheslav I.; Platonov, Vyacheslav E. published their research in Collection of Czechoslovak Chemical Communications on December 31 ,2008. The article was titled 《Reactions of polyfluoroaromatic organozinc compounds with acyl chlorides and DMF》.Synthetic Route of C9H5F5O2 The article contains the following contents:

N,N-Dimethylbis(polyfluoroaryl)methanamines R2CHNMe2 (R = C6F5, EtO2CC6F4, NCC6F4, etc.) and polyfluoroarenes RH were obtained from polyfluoroarom. organozinc compounds RZnX (X = Cl, R) in DMF in the presence of acyl chlorides. In addition to this study using Ethyl 2,3,4,5,6-pentafluorobenzoate, there are many other studies that have used Ethyl 2,3,4,5,6-pentafluorobenzoate(cas: 4522-93-4Synthetic Route of C9H5F5O2) was used in this study.

Ethyl 2,3,4,5,6-pentafluorobenzoate(cas: 4522-93-4) belongs to esters. They are important in biology, being one of the main classes of lipids and comprising the bulk of animal fats and vegetable oils.Synthetic Route of C9H5F5O2 They perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

The author of 《Metal carbonyl chemistry. XXI. Comparison of the reactivities of dicarbonylbis(triphenylphosphine)cobaltate(1-), -iridate(1-), and -rhodate(1-) towards fluoroaromatic compounds》 were Booth, Brian L.; Haszeldine, Robert N.; Perkins, Ian. And the article was published in Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999) in 1975. Safety of Ethyl 2,3,4,5,6-pentafluorobenzoate The author mentioned the following in the article:

Nucleophilic substitution reactions of [M(CO)2(PPh3)2]- (M = Co, Ir) with perfluoroarom. compounds, e.g. pentafluoropyridine (C5F5N), gave aromatic metal complexes, e.g. 4-RC5F4N [R = M(CO)2(PPh3)2]. The relative reactivities of the Co, Ir, and corresponding Rh anions towards C5F5N were established by kinetic studies in the order [Rh(CO)2(PPh3)2]- > [Ir(CO)2(PPh3)2]- > [Co(CO)2(PPh3)2]-.Ethyl 2,3,4,5,6-pentafluorobenzoate(cas: 4522-93-4Safety of Ethyl 2,3,4,5,6-pentafluorobenzoate) was used in this study.

Ethyl 2,3,4,5,6-pentafluorobenzoate(cas: 4522-93-4) belongs to esters. They are important in biology, being one of the main classes of lipids and comprising the bulk of animal fats and vegetable oils. They perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market.Safety of Ethyl 2,3,4,5,6-pentafluorobenzoate

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

《Electronic structure and photoelectron spectra of fluoroorganic derivatives of benzoic acids》 was written by Petrachenko, N. E.. SDS of cas: 4522-93-4 And the article was included in Poverkhnost: Rentgenovskie, Sinkhrotronnye i Neitronnye Issledovaniya on August 31 ,1997. The article conveys some information:

The electronic structure of fluorinated benzamides, N-hydroxybenzamides, benzoic acid esters, benzophenones was studied by photoelectron spectroscopy and MNDO calculations in order to elucidate the role of the HOMOs in formation of chem. bonds between the substituent and the fluorinated ring.Ethyl 2,3,4,5,6-pentafluorobenzoate(cas: 4522-93-4SDS of cas: 4522-93-4) was used in this study.

Ethyl 2,3,4,5,6-pentafluorobenzoate(cas: 4522-93-4) belongs to esters. They are important in biology, being one of the main classes of lipids and comprising the bulk of animal fats and vegetable oils. They perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market.SDS of cas: 4522-93-4

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

The author of 《Fluorine-19 nuclear magnetic resonance studies on some polyfluoro aromatic compounds and their metal complexes》 were Bruce, M. I.. And the article was published in Journal of the Chemical Society [Section] A: Inorganic, Physical, Theoretical in 1968. COA of Formula: C9H5F5O2 The author mentioned the following in the article:

The high-resolution 19F N.M.R. spectra of several polyfluoro aromatic compounds and of derived transition-metal complexes are presented and discussed. Substituent shielding parameters are tabulated for many commonly encountered functional groups, and details of the identification of complex products from the reaction of the anion [(π-C5H5)Fe-(CO)2]- with C6F5CN, 1,2-C6F4I2 and C6F5Br are given. The nature of the complexes formed has been confirmed by use of high-resolution mass-spectrometric techniques in the latter two cases. 17 references. The results came from multiple reactions, including the reaction of Ethyl 2,3,4,5,6-pentafluorobenzoate(cas: 4522-93-4COA of Formula: C9H5F5O2)

Ethyl 2,3,4,5,6-pentafluorobenzoate(cas: 4522-93-4) belongs to esters. Esters are more polar than ethers but less polar than alcohols. COA of Formula: C9H5F5O2 They participate in hydrogen bonds as hydrogen-bond acceptors, but cannot act as hydrogen-bond donors, unlike their parent alcohols.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

《Aromatic nucleophilic substitution. XIV. Kinetics of reactions of methyl and ethyl esters of pentafluorobenzoic acid with sodium alkoxides》 was written by Kobrina, L. S.; Furin, G. G.; Kollegov, V. F.; Chertok, V. S.; Yakobson, G. G.. COA of Formula: C9H5F5O2 And the article was included in Izvestiya Sibirskogo Otdeleniya Akademii Nauk SSSR, Seriya Khimicheskikh Nauk in 1972. The article conveys some information:

Nucleophilic substitution of C6F5CO2R (R = Me, Et) by the corresponding NaOR in ROH-Et2O, MeOH-dioxane, and MeOH-C6H6 was 1st order in each reagent. The rate of ortho substitution decreased more sharply with increasing alc. content of the solvent than that of the para substitution; however, the rate of para substitution in MeOH-C6H6 increased with the solvent polarity. In the experimental materials used by the author, we found Ethyl 2,3,4,5,6-pentafluorobenzoate(cas: 4522-93-4COA of Formula: C9H5F5O2)

Ethyl 2,3,4,5,6-pentafluorobenzoate(cas: 4522-93-4) belongs to esters. Esters are more polar than ethers but less polar than alcohols. COA of Formula: C9H5F5O2 They participate in hydrogen bonds as hydrogen-bond acceptors, but cannot act as hydrogen-bond donors, unlike their parent alcohols. This ability to participate in hydrogen bonding confers some water-solubility.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

《The toxicity of some fluoroaromatic compounds》 was published in Izvestiya Sibirskogo Otdeleniya Akademii Nauk SSSR, Seriya Biologo-Meditsinskikh Nauk in 1967. These research results belong to Lapik, A. S.; Zimina, L. N.. Safety of Ethyl 2,3,4,5,6-pentafluorobenzoate The article mentions the following:

The oral LD50 of the following compounds were determined for white mice: benzaldehyde 1240, pentafluorobenzaldehyde 320, benzoic acid 2800, pentafluorobenzoic acid 2500, acetophenone 970, pentafluoroacetophenone 850, decafluorohydrobenzoin 485, dinitrodecafluorohydrobenzoin 5000, terephthalic acid 585, tetrafluoroterephthalic acid 350, di-Me tetrafluoroterephthalate 870, phthalic acid 560, tetrafluorophthalic acid (I) 320, di-Me I 780, pentafluorobromobenzene 959, ω-bromoacetophenone 690, ω-bromopentafluoroacetophenone 350, Et pentafluorobenzoate 1700, benzophenone 1250, decafluorobenzophenone 960, decafluorobenzhydrol 1350, pentafluorobenzhydrol 1750, ester of decafluorobenzhydrol and HNO3 1750, tris(pentafluorophenyl)methane 1625, benzene 400, pentafluorobenzene 710, pentafluorochlorobenzene 1250, octafluoronaphthalene 670, hexafluoro-1,4-naphthoquinone 450, pentafluoropyridine 280, fluoranil 420 mg./kg. The toxic symptoms were generally similar: decreased motor activity, loss of coordination, paralysis, and death. The benzene derives. had a narcotic effect and octafluoronaphthalene and pentafluoropyridine caused convulsions. The experimental process involved the reaction of Ethyl 2,3,4,5,6-pentafluorobenzoate(cas: 4522-93-4Safety of Ethyl 2,3,4,5,6-pentafluorobenzoate)

Ethyl 2,3,4,5,6-pentafluorobenzoate(cas: 4522-93-4) belongs to esters. Esters are more polar than ethers but less polar than alcohols. Safety of Ethyl 2,3,4,5,6-pentafluorobenzoate They participate in hydrogen bonds as hydrogen-bond acceptors, but cannot act as hydrogen-bond donors, unlike their parent alcohols.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics