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1,2-Bis(4-fluorophenyl)ethane is a chemical compound characterized by the molecular formula C14H12F2. It is a colorless crystalline solid that is insoluble in water. 1,2-Bis(4-fluorophenyl)ethane features two fluorine-substituted phenyl groups attached to an ethane backbone, which makes it a valuable intermediate in the development of various organic compounds. Its unique structure and properties have led to its use in multiple applications across different industries.

458-76-4

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458-76-4 Usage

Uses

Used in Pharmaceutical Industry:
1,2-Bis(4-fluorophenyl)ethane is used as a building block in organic synthesis for the production of pharmaceuticals. Its fluorine-substituted phenyl groups contribute to the development of new drugs with improved pharmacological properties.
Used in Agrochemical Industry:
In the agrochemical sector, 1,2-Bis(4-fluorophenyl)ethane is utilized as a key intermediate in the synthesis of agrochemicals. Its incorporation into these compounds can enhance their effectiveness in pest control and crop protection.
Used in Dye Industry:
1,2-Bis(4-fluorophenyl)ethane is employed as a precursor in the production of dyes. Its unique structure allows for the creation of dyes with specific color properties and improved stability.
Used in Material Science:
1,2-Bis(4-fluorophenyl)ethane has potential applications in the field of material science. It has been the subject of research for its potential use in polymers and other materials, where its fluorine-substituted phenyl groups can impart specific characteristics to the final product.
Despite its numerous potential uses, it is important to exercise caution when handling 1,2-Bis(4-fluorophenyl)ethane due to its hazardous nature. Exposure to 1,2-Bis(4-fluorophenyl)ethane can cause irritation to the skin, eyes, and respiratory system. Proper safety measures should be taken to minimize the risks associated with its use.

Check Digit Verification of cas no

The CAS Registry Mumber 458-76-4 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 4,5 and 8 respectively; the second part has 2 digits, 7 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 458-76:
(5*4)+(4*5)+(3*8)+(2*7)+(1*6)=84
84 % 10 = 4
So 458-76-4 is a valid CAS Registry Number.

458-76-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-fluoro-4-[2-(4-fluorophenyl)ethyl]benzene

1.2 Other means of identification

Product number -
Other names 4,4'-Difluor-bibenzyl

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:458-76-4 SDS

458-76-4Downstream Products

458-76-4Relevant academic research and scientific papers

Reactions of benzyltriphenylphosphonium salts under photoredox catalysis

Boldt, Andrew M.,Dickinson, Sidney I.,Ramirez, Jonathan R.,Benz-Weeden, Anna M.,Wilson, David S.,Stevenson, Susan M.

supporting information, p. 7810 - 7815 (2021/09/28)

The development of benzyltriphenylphosphonium salts as alkyl radical precursors using photoredox catalysis is described. Depending on substituents, the benzylic radicals may couple to form C-C bonds or abstract a hydrogen atom to form C-H bonds. A natural product, brittonin A, was also synthesized using this method.

Tandem Acceptorless Dehydrogenative Coupling-Decyanation under Nickel Catalysis

Babu, Reshma,Balaraman, Ekambaram,Midya, Siba P.,Subaramanian, Murugan,Yadav, Vinita

, p. 7552 - 7562 (2021/06/28)

The development of new catalytic processes based on abundantly available starting materials by cheap metals is always a fascinating task and marks an important transition in the chemical industry. Herein, a nickel-catalyzed acceptorless dehydrogenative coupling of alcohols with nitriles followed by decyanation of nitriles to access diversely substituted olefins is reported. This unprecedented C=C bond-forming methodology takes place in a tandem manner with the formation of formamide as a sole byproduct. The significant advantages of this strategy are the low-cost nickel catalyst, good functional group compatibility (ether, thioether, halo, cyano, ester, amino, N/O/S heterocycles; 43 examples), synthetic convenience, and high reaction selectivity and efficiency.

Synthesis of Dibenzyls by Nickel-Catalyzed Homocoupling of Benzyl Alcohols

Pan, Feng-Feng,Guo, Peng,Huang, Xiaochuang,Shu, Xing-Zhong

, p. 3094 - 3100 (2021/04/23)

Dibenzyls are essential building blocks that are widely used in organic synthesis, and they are typically prepared by the homocoupling of halides, organometallics, and ethers. Herein, we report an approach to this class of compounds using alcohols, which are more stable and readily available. The reaction proceeds via nickel-catalyzed and dimethyl oxalate assisted dynamic kinetic homocoupling of benzyl alcohols. Both primary and secondary alcohols are tolerated.

Coupling Photocatalysis and Substitution Chemistry to Expand and Normalize Redox-Active Halides

Rathnayake, Manjula D.,Weaver, Jimmie D.

supporting information, p. 2036 - 2041 (2021/04/05)

Photocatalysis can generate radicals in a controlled fashion and has become an important synthetic strategy. However, limitations due to the reducibility of alkyl halides prevent their broader implementation. Herein we explore the use of nucleophiles that can substitute the halide and serve as an electron capture motif that normalize the variable redox potentials across substrates. When used with photocatalysis, bench-stable, commercially available collidinium salts prove to be excellent radical precursors with a broad scope.

Aryl dechlorination and defluorination with an organic super-photoreductant

Glaser, Felix,Kerzig, Christoph,Larsen, Christopher B.,Wenger, Oliver S.

, p. 1035 - 1041 (2020/08/28)

Direct excitation of the commercially available super-electron donor tetrakis(dimethylamino)ethylene (TDAE) with light-emitting diodes at 440 or 390 nm provides a stoichiometric reductant that is able to reduce aryl chlorides and fluorides. The method is very simple and requires only TDAE, substrate, and solvent at room temperature. The photoactive excited state of TDAE has a lifetime of 17.3 ns in cyclohexane at room temperature and an oxidation potential of ca. -3.4 V vs. SCE. This makes TDAE one of the strongest photoreductants able to operate on the basis of single excitation with visible photons. Direct substrate activation occurs in benzene, but acetone is reduced by photoexcited TDAE and substrate reduction takes place by a previously unexplored solvent radical anion mechanism. Our work shows that solvent can have a leveling effect on the photochemically available redox power, reminiscent of the pH-leveling effect that solvent has in acid-base chemistry.

"bulky-Yet-Flexible" α-Diimine Palladium-Catalyzed Reductive Heck Cross-Coupling: Highly Anti-Markovnikov-Selective Hydroarylation of Alkene in Air

Yang, Xu-Wen,Li, Dong-Hui,Song, A-Xiang,Liu, Feng-Shou

, p. 11750 - 11765 (2020/10/23)

To pursue a highly regioselective and efficient reductive Heck reaction, a series of moisture-and air-stable α-diimine palladium precatalysts were rationally designed, readily synthesized, and fully characterized. The relationship between the structures of the palladium complexes and the catalytic properties was investigated. It was revealed that the"bulky-yet-flexible"palladium complexes allowed highly anti-Markovnikov-selective hydroarylation of alkenes with (hetero)aryl bromides under aerobic conditions. Further synthetic application of the present protocol could provide rapid and straightforward access to functional and biologically active molecules.

Ni-Catalyzed Iterative Alkyl Transfer from Nitrogen Enabled by the in Situ Methylation of Tertiary Amines

Nwachukwu, Chideraa Iheanyi,McFadden, Timothy Patrick,Roberts, Andrew George

, p. 9979 - 9992 (2020/09/03)

Current methods to achieve transition-metal-catalyzed alkyl carbon-nitrogen (C-N) bond cleavage require the preformation of ammonium, pyridinium, or sulfonamide derivatives from the corresponding alkyl amines. These activated substrates permit C-N bond cleavage, and their resultant intermediates can be intercepted to affect carbon-carbon bond-forming transforms. Here, we report the combination of in situ amine methylation and Ni-catalyzed benzalkyl C-N bond cleavage under reductive conditions. This method permits iterative alkyl group transfer from tertiary amines and demonstrates a deaminative strategy for the construction of Csp3-Csp3 bonds. We demonstrate PO(OMe)3 (trimethylphosphate) to be a Ni-compatible methylation reagent for the in situ conversion of trialkyl amines into tetraalkylammonium salts. Single, double, and triple benzalkyl group transfers can all be achieved from the appropriately substituted tertiary amines. Transformations developed herein proceed via recurring events: The in situ methylation of tertiary amines by PO(OMe)3, Ni-catalyzed C-N bond cleavage, and concurrent Csp3-Csp3 bond formation.

Synthesis of dimeric molecules via ag-catalyzed electrochemical homocoupling of organic bromides paired with electrooxidation of urea

Klinkova, Anna,Krivoshapkina, Elena F.,Medvedev, Jury J.,Medvedeva, Xenia V.,Pivovarova, Yekaterina,Steksova, Yulia P.

, (2020/11/09)

We present a sacrificial anode-free approach to reductive homocoupling of organohalides that does not require a co-catalyst. In this approach, a divided electrochemical cell with aprotic and aqueous compartments separated by an anion exchange membrane enables coupling of the cathodic homocoupling reaction with anodic oxidation of urea. We show that, in contrast with traditional one-compartment cells relying on sacrificial anodes, the proposed cell configuration maintains stable cell voltage in the course of galvanostatic electrolysis. A synthetic potential of this method was assessed using a series of 13 organic bromides that demonstrated a strong dependence of the reaction outcome on the structure of the organic substrate, more specifically, the dissociation energy of the C–Br bond and the redox properties of formed radicals, which are discussed in detail. While not being suitable for the synthesis of byarylstructures, this method is excellent for C(sp3)-C(sp3) coupling to corresponding dimeric products with up to quantitative yields. Simultaneous electrochemical treatment of nitrogenous waste in the adjacent half-cell provides an additional incentive for wide adaptation of this sustainable synthetic approach.

Ni(II)/Al(0) mediated benzylic Csp 3 - Csp 3 coupling in aqueous media

Nayak, Mukesh Kumar,Mukhi, Priyabrata,Mohanty, Anuradha,Rana, Sohel Samim,Arora, Rajat,Narjinari, Himani,Roy, Sujit

, (2019/07/16)

Abstract : The reaction of benzyl bromides and chlorides with aluminium metal powder or foil (1.2 eqv.) in the presence of catalytic nickel nitrate (10 mol%) in water at room temperature resulted in homocoupling to the corresponding bibenzyl products which were isolated in moderate to good yields. In sharp contrast, the same reaction in organic solvents like dichloromethane, dimethylformamide, acetonitrile, methanol and toluene yielded only a trace amount of the desired product. The scope of the reaction was tested with substituents on the aromatic ring such as Me-, Cl-, CN-, F-, NO 2-, Ph- as well as 2 ° benzyl halides. Graphical abstract: The reagent combination of aluminium metal and catalytic Ni(NO3)2 promotes the homocoupling of benzyl bromides and chlorides giving rise to the corresponding bibenzyl products in good to excellent yields. The reaction is greatly facilitated in water and showed good functional group tolerance. Besides the mild reaction condition and bench-friendliness, the present reaction constitutes the first example of aluminium-mediated homocoupling of a halide in water. [Figure not available: see fulltext.].

Visible-Light-Driven Self-Coupling of Methylarenes Catalyzed by Ni2P?Cd0.5Zn0.5S Nanoparticles

Yang, Dan-Dan,Hu, Jia-Jun,Zhang, Hong,Lv, Xiao-Jun,Chen, Yong,Fu, Wen-Fu

, p. 1384 - 1392 (2020/01/08)

The Ni2P?Cd0.5Zn0.5S nanoparticles photocatalyzed self-coupling of p-xylene was reported here, and the corresponding coupling product 1,2-di-p-tolylethane was obtained. The reaction could be extended to toluene derivatives with electron-donating and electron-withdrawing substituents. Ni2P?Cd0.5Zn0.5S nanoparticles had already been characterized by XRD, ICP-AES, SEM, TEM, UV/Vis, FL, XPS. The Mott–Schottky curves of Ni2P?Cd0.5Zn0.5S were made through electrochemical methods. An active carbon free-radical was captured through ESR measurement under irradiation. The research demonstrated this photocatalytic system feasible for the self-coupling reaction of toluene derivatives.

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