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2-Phenylthiophene-5-boronic acid pinacol ester is a chemical compound belonging to the boronic acid family, derived from thiophene, a heterocyclic compound with potential applications in materials science and medicinal chemistry. The pinacol ester group enhances its stability and reactivity, making it a versatile building block for the synthesis of complex organic molecules.

459409-74-6

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459409-74-6 Usage

Uses

Used in Organic Synthesis:
2-Phenylthiophene-5-boronic acid pinacol ester is used as a reactant in chemical reactions for the formation of new carbon-carbon and carbon-heteroatom bonds, contributing to the development of complex organic molecules.
Used in Pharmaceutical Research:
In the pharmaceutical industry, 2-Phenylthiophene-5-boronic acid pinacol ester is used as a key intermediate in the synthesis of new drugs, leveraging its reactivity and stability to create novel therapeutic agents.
Used in Materials Science:
2-Phenylthiophene-5-boronic acid pinacol ester is utilized as a component in the development of new materials, taking advantage of its properties to enhance the performance of various materials in different applications.
Used in Agrochemical Development:
In agrochemical research, 2-Phenylthiophene-5-boronic acid pinacol ester is employed as a building block for the synthesis of new agrochemicals, potentially leading to the creation of innovative products for agricultural use.

Check Digit Verification of cas no

The CAS Registry Mumber 459409-74-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 4,5,9,4,0 and 9 respectively; the second part has 2 digits, 7 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 459409-74:
(8*4)+(7*5)+(6*9)+(5*4)+(4*0)+(3*9)+(2*7)+(1*4)=186
186 % 10 = 6
So 459409-74-6 is a valid CAS Registry Number.

459409-74-6 Well-known Company Product Price

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  • Alfa Aesar

  • (H59042)  5-Phenylthiophene-2-boronic acid pinacol ester, 95%   

  • 459409-74-6

  • 250mg

  • 683.0CNY

  • Detail
  • Alfa Aesar

  • (H59042)  5-Phenylthiophene-2-boronic acid pinacol ester, 95%   

  • 459409-74-6

  • 1g

  • 2184.0CNY

  • Detail

459409-74-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 4,4,5,5-tetramethyl-2-(5-phenylthiophen-2-yl)-1,3,2-dioxaborolane

1.2 Other means of identification

Product number -
Other names 5-Phenylthiophene-2-boronic acid pinacol ester

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:459409-74-6 SDS

459409-74-6Relevant academic research and scientific papers

Manganese-Catalyzed C(sp2)-H Borylation of Furan and Thiophene Derivatives

Britton, Luke,Skrodzki, Maciej,Nichol, Gary S.,Dominey, Andrew P.,Pawlu?, Piotr,Docherty, Jamie H.,Thomas, Stephen P.

, p. 6857 - 6864 (2021/06/28)

Aryl boronic esters are bench-stable, platform building-blocks that can be accessed through metal-catalyzed aryl C(sp2)-H borylation reactions. C(sp2)-H bond functionalization reactions using rare- and precious-metal catalysts are well established, and while examples utilizing Earth-abundant alternatives have emerged, manganese catalysis remains lacking. The manganese-catalyzed C-H borylation of furan and thiophene derivatives is reported alongside an in situ activation method providing facile access to the active manganese hydride species. Mechanistic investigations showed that blue light irradiation directly affected catalysis by action at the metal center, that C(sp2)-H bond borylation occurs through a C-H metallation pathway, and that the reversible coordination of pinacolborane to the catalyst gave a manganese borohydride complex, which was as an off-cycle resting state.

C-H Borylation Catalysis of Heteroaromatics by a Rhenium Boryl Polyhydride

Donnelly, Liam J.,Faber, Teresa,Morrison, Carole A.,Nichol, Gary S.,Thomas, Stephen P.,Love, Jason B.

, p. 7394 - 7400 (2021/06/30)

Transition metal complexes bearing metal-boron bonds are of particular relevance to catalytic C-H borylation reactions, with iridium polyboryl and polyhydrido-boryl complexes the current benchmark catalysts for these transformations. Herein, we demonstrate that polyhydride boryl phosphine rhenium complexes are accessible and catalyze the C-H borylation of heteroaromatic substrates. Reaction of [K(DME)(18-c-6)][ReH4(Bpin)(ν2-HBpin)(κ2-H2Bpin)] 1 with 1,3-bis(diphenylphosphino)propane (dppp) produced [K(18-c-6)][ReH4(ν2-HBpin)(dppp)] 2 through substitution of two equivalents of HBpin, and protonation of 2 formed the neutral complex [ReH6(Bpin)(dppp)] 3. Combined X-ray crystallographic and DFT studies show that 2 is best described as a σ-borane complex, whereas 3 is a boryl complex. Significantly, the boryl complex 3 acted as a catalyst for the C(sp2)-H borylation of a variety of heteroarenes (14 examples including furan, thiophene, pyrrole and indole derivatives) and displayed similar reactivity to the iridium analogues.

Dual selectivity: Electrophile and nucleophile selective cross-coupling reactions on a single aromatic substrate

Heinrich, Annika C. J.,Thiedemann, Birk,Gates, Paul J.,Staubitz, Anne

, p. 4666 - 4669 (2013/10/08)

The development of a high yielding, both nucleophile and electrophile selective cross-coupling reaction with aromatic rings is presented. The reaction is general with respect to functional groups. Furthermore, the products still contain a boronic ester and a bromide. These two functional groups allow them to be easy-to-prepare, highly complex starting materials for further reactions, avoiding protecting group transformations.

Chemoselective cross-coupling reactions with differentiation between two nucleophilic sites on a single aromatic substrate

Linshoeft, Julian,Heinrich, Annika C. J.,Segler, Stephan A. W.,Gates, Paul J.,Staubitz, Anne

supporting information, p. 5644 - 5647 (2013/01/15)

A new thiophene building block, containing both a stannyl group and a boronic ester, was prepared. From this starting material, a general, nucleophile-selective one-pot reaction was developed, exploiting the different reactivities of the Stille and Suzuki-Miyaura cross-coupling reactions. A series of aromatic electrophiles were used to demonstrate the high functional group tolerance.

C-H bond activation/borylation of furans and thiophenes catalyzed by a half-sandwich iron N-heterocyclic carbene complex

Hatanaka, Tsubasa,Ohki, Yasuhiro,Tatsumi, Kazuyuki

supporting information; experimental part, p. 1657 - 1666 (2011/08/05)

A coordinatively unsaturated iron-methyl complex having an N-heterocyclic carbene ligand, [Cp*Fe-(LMe)Me] (1; Cp *=η5-C5Me5, L Me=1,3,4,5-tetramethyl-imidazol-2-ylidene), is synthesized from the reaction of [Cp*Fe(TMEDA)Cl] (TMEDA=N,N,N',N'- tetramethylethylenediamine) with methyllithium and LMe. Complex 1 is found to activate the C-H bonds of furan, thiophene, and benzene, giving rise to aryl complexes, [Cp*Fe(LMe)-(aryl)] (aryl=2-furyl (2), 2-thienyl (3), phenyl (4)). The C-H bond cleavage reactions are applied to the dehydrogenative coupling of furans or thiophenes with pinacolborane (HBpin) in the presence of tert-butylethylene and a catalytic amount of 1 (10 mol% to HBpin). The borylation of the furan/thiophene or 2-substituted furans/thiophenes occurs exclusively at the 2-or 5-positions, respectively, whereas that of 3-substituted furans/thiophenes takes place mainly at the 5-position and gives a mixture of regioisomers. Treatment of 2 with 2 equiv of HBpin results in the quantitative formation of 2-boryl-furan and the borohydride complex [Cp *Fe(LMe)(H2Bpin)] (5). Heating a solution of 5 in the presence of tert-butylethylene led to the formation of an alkyl complex [Cp*Fe-(LMe)CH2CH2tBu] (6), which was found to cleave the C-H bond of furan to produce 2. On the basis of these results, a possible catalytic cycle is proposed.

Optical and redox properties of a series of 3,4-ethylenedioxythiophene oligomers

Apperloo, Joke J.,Bert Groenendaal,Verheyen, Hilde,Jayakannan, Manickam,Janssen, Rene A. J.,Dkhissi, Ahmed,Beljonne, David,Lazzaroni, Roberto,Bredas, Jean-Luc

, p. 2384 - 2396 (2007/10/03)

The optical and redox properties of a series of 3,4-ethylenedioxythiophene oligomers (EDOTn, n=1-4) and their β,β'-unsubstituted analogues (Tn, n=1-4) are described. Both series are end capped with phenyl groups to prevent irreversible a-coupling reaction

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