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Color tuning of cyclometalated iridium complexes through modification of phenylpyrazole derivatives and ancillary ligand based on ab initio calculations

Various iridium complexes consisting of phenylpyrazole (ppz) ligands and isoquinolinecarboxylic acids (iq) as ancillary ligands were designed by energy band-gap calculations via ab initio calculations and synthesized to give rise to various emission wavelengths as expected. Fine color tuning was achieved through varying the position of the methyl substituent on the phenylpyrazole moiety with HOMO electron densities. Additional color tuning was made possible by altering the LUMO through the use of different ancillary ligands such as 1-isoquinolinecarboxylic acid (liq) and 3-isoquinolinecarboxylic acid (3iq).

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Reference£º
Benzofuran – Wikipedia,
Benzofuran | C8H2622O – PubChem

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Application of 54109-03-4, Because a catalyst decreases the height of the energy barrier, its presence increases the reaction rates of both the forward and the reverse reactions by the same amount.54109-03-4, Name is 5-Chloroisobenzofuran-1(3H)-one, molecular formula is C8H5ClO2. In a article£¬once mentioned of 54109-03-4

N-Arylation of heterocycles promoted by tetraethylenepentamine in water

Tetraethylenepentamine and triethylenetetramine are found to be efficient organic bases for the N-arylation of pyrazole and imidazole with aryl and heteroaryl-iodides and -bromides catalyzed by CuI in water at moderate temperature. The cross-couplings proceed smoothly with good to excellent yields and a variety of functional groups are tolerated under this condition.

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Reference£º
Benzofuran – Wikipedia,
Benzofuran | C8H2646O – PubChem

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54109-03-4, The reaction rate of a catalyzed reaction is faster than the reaction rate of the uncatalyzed reaction at the same temperature.54109-03-4, Name is 5-Chloroisobenzofuran-1(3H)-one, molecular formula is C8H5ClO2. In a Article, authors is Sen, Malay£¬once mentioned of 54109-03-4

Dehydrative Cp?Co(III)-Catalyzed C-H Bond Allenylation

An efficient, unprecedented reactivity of Cp?Co(III) for the synthesis of tetrasubstituted allenes under mild conditions is disclosed. Electron-rich and highly nucleophilic cobalt facilitates the dehydrative C-H bond allenylation directly from propargylic alcohols without any derivatization. The reaction proceeds via reversible cyclometalation followed by alcohol-directed regioselective alkyne insertion and beta-hydroxy elimination to provide the tetrasubstituted allenes.

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Reference£º
Benzofuran – Wikipedia,
Benzofuran | C8H2636O – PubChem

Brief introduction of 54109-03-4

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54109-03-4, 5-Chloroisobenzofuran-1(3H)-one is a benzofuran compound, ?involved in a variety of chemical synthesis. Rlated chemical reaction is continuously updated

54109-03-4, Example 5 Under a nitrogen atmosphere, a mixture of NiCl2 (0.2 g, 0.0015 mol) and triphenylphosphine (1.6 g, 0.0061 mol) in acetonitrile (80 ml)was heated at reflux for 45 minutes. After cooling to room temperature, zinic powder was added (0.39 g, 0.006 mol) at stirred for 15 minutes before a solution of 5-chloro-3H-isobenzofuran-1-one (3.4 g, 0.02 mol) in THF (40 mL) was added. After stirring for a further 10 minutes, NaCN (1.1 g, 0.021 mol) was added and the reaction heated at 70¡ã C. for 3 hrs, cooled, diluted with acetonitrile (50 mL), and then filtered through celite. The filtrate was concentrated under reduced pressure and the residue was refluxed in water (150 mL) for 10 minutes and allowed to cool to room temperature. Filtration and followed by drying in vacuo give the crude 5-cyano-3H-isobenzofuran-1-one (2.5 g).

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Reference£º
Patent; H. Lundbeck A/S; US2002/198391; (2002); A1;,
Benzofuran – Wikipedia
Benzofuran | C8H6O – PubChem

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The synthetic route of 54109-03-4 has been constantly updated, and we look forward to future research findings.

With the rapid development and complex challenges of chemical substances, new drug synthesis pathways are usually the most effective.54109-03-4,5-Chloroisobenzofuran-1(3H)-one,as a common compound, the synthetic route is as follows.,54109-03-4

a) 5-Chloro-1,3-dihydro-2-benzofuran-1-ol To a solution of 5-chlorophthalide (3.64 g, 21.6 mmol) in dichloromethane (100 mL) at -78¡ã C. was added di-isobutylaluminium hydride (1M in toluene) (23.8 mL, 23.8 mmol) dropwise. After 1 h the reaction mixture was quenched with a saturated solution of sodium tartrate (250 mL), allowed to warm to room temperature and stirred for 1h. The layers were separated and the aqueous layer extracted with dichloromethane. The combined organic layers were dried (MgSO4), filtered and concentrated in vacuo to yield the title compound as a white solid.

The synthetic route of 54109-03-4 has been constantly updated, and we look forward to future research findings.

Reference£º
Patent; Agejas-Chicharro, Javier; Belen Bueno Melendo, Ana; Camp, Nicholas Paul; Gilmore, Jeremy; Jimenez-Aguado, Alma Maria; Lamas-Peteira, Carlos; Marcos-Llorente, Alicia; Mazanetz, Michael Philip; Montero Salgado, Carlos; Timms, Graham Henry; Williams, Andrew Caerwyn; US2004/122001; (2004); A1;,
Benzofuran – Wikipedia
Benzofuran | C8H6O – PubChem

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100mL and 150mL o-xylene was added dichloromethane 1000mL four-necked flask, 3g of zinc powder, placed on a magnetic stirrer, to 200r / min speed stirring 10min; At the end of the flask was introduced chlorine gas, aeration rate was washed with 10mL / min, aeration time was 10min, the reaction was allowed to stand after the aeration 1h, with a concentration of 10percent sodium hydroxide solution to colorless, into a distillation apparatus, was heated to 70 , dichloromethane was removed by distillation, to precipitate a white solid; white solid was placed in the above-described three-necked flask equipped with a thermometer, a condenser and a stirrer was charged with 50g and 10g of glacial acetic acid and potassium permanganate 3g solid sodium hydroxide, transferred to the water bath temperature was raised to 70 deg.] C shaking bed oscillating reaction 1h, placed in a rotary evaporator, heated to 80 , rotary evaporated to remove acetic acid to give white crystals; added 200mL ethyl acetate equipped with a stirrer and a thermometer four flask, 50g and 20g of sodium chloride sodium hydrogen sulfite and 800mL of distilled water, start agitator 500r / min stirring speed at the stirring process, the white crystals obtained above was added 5 min the flask, stirring was continued for 10min; after stirring was complete, 300mL layered ethyl acetate, poured into a separatory funnel and the organic layer was separated, was added 20mL of 10percent concentration sodium hydroxide solution to wash pale yellow, ethyl acetate was distilled off; the mixture of ethyl acetate was distilled off after added 20g of iodine chlorobenzene and 3g magnesium, and 50mL tetrahydrofuran, placed in an ultrasonic shaker, the ultrasonic oscillating reaction 10min, ultrasonic frequency of 25KHz, ultrasonic power 100W, ultrasound was added 50mL reaction was continued concentration of 95percent ethanol solution and immediately transferred to an ice bath pot was allowed to stand at 4 6h, until no precipitation, transferred to a Buchner funnel after filtration to give 1- (4-iodophenyl) -5-chloro-isobenzofuran .

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Reference£º
Patent; Changzhou University; Chen, Xingquan; (6 pag.)CN105801539; (2016); A;,
Benzofuran – Wikipedia
Benzofuran | C8H6O – PubChem