Tag: 600-700

《Trifluoromethylation/Difluoromethylation-Initiated Radical Cyclization of o-Alkenyl Aromatic Isocyanides for Direct Construction of 4-Cyano-2-Trifluoromethyl/Difluoromethyl-Containing Quinolines》 was written by Mao, Shukuan; Wang, He; Liu, Lu; Wang, Xin; Zhou, Ming-Dong; Li, Lei. Name: fac-Tris(2-phenylpyridine)iridium And the article was included in Advanced Synthesis & Catalysis in 2020. The article conveys some information:

A radical-triggered cyclization of o-alkenyl aromatic isocyanides prepared from accessible starting materials was developed. The reaction provided a general and efficient method for the synthesis of 4-CN-2-CF3/CF2H-containing quinolines under copper or visible-light photoredox catalysis in a one-pot synthetic procedure. This protocol demonstrated good to high yields, broad substrate scope, and good functional group tolerance. The experimental process involved the reaction of fac-Tris(2-phenylpyridine)iridium(cas: 94928-86-6Name: fac-Tris(2-phenylpyridine)iridium)

fac-Tris(2-phenylpyridine)iridium(cas: 94928-86-6) belongs to pyridine. Pyridine is a relatively complex molecule and exhibits a number of different bands in IR spectra. Among others, the bands characterizing the ν8a and ν19b modes have been found to be sensitive to the coordination or protonation of the molecule. Note that the band that is diagnostic for the PyH+ ion at about 1545 cm− 1 (ν19b mode) does not overlap with any of the other bands.Name: fac-Tris(2-phenylpyridine)iridium

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Takashima, Chinami; Seino, Junji; Nakai, Hiromi published an article in 2021. The article was titled 《Database-assisted local unitary transformation method for two-electron integrals in two-component relativistic calculations》, and you may find the article in Chemical Physics Letters.Safety of fac-Tris(2-phenylpyridine)iridium The information in the text is summarized as follows:

This letter presents an efficient algorithm for local unitary transformation based on the spin-free infinite-order two-component relativistic method for the two-electron interaction, which is assisted by one-center relativistic two-electron integral (TEI) database. The database stores a set of TEIs, one for each element-basis set combination. The algorithm is numerically assessed for hydrogen halide chains, (HX)n (X = Cl and At), Aun, Ir(ppy)3, Pt3(C7H7)2(HCN)3, and PtCl2(NH3)2. The computational cost (time and memory size) at the Hartree-Fock level is lower than that of the conventional method, especially for small and medium-sized mols.fac-Tris(2-phenylpyridine)iridium(cas: 94928-86-6Safety of fac-Tris(2-phenylpyridine)iridium) was used in this study.

fac-Tris(2-phenylpyridine)iridium(cas: 94928-86-6) belongs to pyridine. Pyridines form stable salts with strong acids. Pyridine itself is often used to neutralize acid formed in a reaction and as a basic solvent. Safety of fac-Tris(2-phenylpyridine)iridium

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Formula: C33H24IrN3In 2019 ,《Merging Visible-Light Photoredox and Organoamine Catalysis for the C-3 Difluoroalkylation of Quinoxalin-2(1H)-Ones》 appeared in Asian Journal of Organic Chemistry. The author of the article were Jin, Can; Zhuang, Xiaohui; Sun, Bin; Li, Deyu; Zhu, Rui. The article conveys some information:

A mild and efficient protocol for visible-light and organoamine cocatalyzed difluoroalkylation of quinoxalin-2(1H)-ones with functionalized difluoromethyl bromides was developed. The transformation was carried out at room temperature and gave a variety of C-3 difluoroalkylated quinoxaline-2(1H)-ones in moderate to excellent yields. Moreover, mechanistic studies revealed that this transformation proceeded through a radical-type debrominative coupling process with only need of catalytic amount of diisopropylethylamine (DIPEA). This strategy featured wide functional group tolerance, excellent regioselectivity, mild conditions and operational simplicity. In the experiment, the researchers used fac-Tris(2-phenylpyridine)iridium(cas: 94928-86-6Formula: C33H24IrN3)

fac-Tris(2-phenylpyridine)iridium(cas: 94928-86-6) belongs to pyridine. Pyridine and pyridine-derived structures are privileged pharmacophores in medicinal chemistry and an essential functionality for organic chemists. As the prototypical π-deficient heterocycle, pyridine illustrates distinctive chemistry as both substrate and reagent. Formula: C33H24IrN3

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

In 2019,Advanced Synthesis & Catalysis included an article by Zhu, Tong-Hao; Zhang, Xiao-Chen; Cui, Xian-Lu; Zhang, Ze-Yu; Jiang, Hui; Sun, Shan-Shan; Zhao, Li-Li; Zhao, Kai; Loh, Teck-Peng. Electric Literature of C33H24IrN3. The article was titled 《Direct C(sp2)-H Arylsulfonylation of Enamides via Iridium(III)-Catalyzed Insertion of Sulfur Dioxide with Aryldiazonium Tetrafluoroborates》. The information in the text is summarized as follows:

An iridium(III)-catalyzed three-component reaction of enamides e.g., N-benzyl-N-(1-phenylvinyl)acetamide, aryldiazonium tetrafluoroborates ArN2BF4 [Ar = 4-FC6H4, naphthalen-1-yl, 2-methyloxycarbonyl-thiophen-3-yl, etc.], and 1,4-diazabicyclo[2.2.2]octane bis(sulfur dioxide) (DABSO) for the direct C(sp2)-H arylsulfonylation of enamides e.g., (E)-N-benzyl-N-(1-phenyl-2-(phenylsulfonyl)vinyl)acetamide is developed. This transformation provides a robust and straightforward approach for preparing a diverse array of β-amidovinyl sulfones in moderate to excellent yields and high stereoselectivities without Light-emitting diode (LED) radiation. This transformation also features mild conditions, broad substrate scopes, and excellent functional group tolerance. After reading the article, we found that the author used fac-Tris(2-phenylpyridine)iridium(cas: 94928-86-6Electric Literature of C33H24IrN3)

fac-Tris(2-phenylpyridine)iridium(cas: 94928-86-6) belongs to pyridine. Pyridine is widely used in the precursor to agrochemicals and pharmaceuticals. Also, it is used as an important reagent and organic solvent.Electric Literature of C33H24IrN3

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

The author of 《Synthesis of fluoroalkylated alkynes via visible-light photocatalysis》 were Iqbal, Naila; Iqbal, Naeem; Han, Sung Su; Cho, Eun Jin. And the article was published in Organic & Biomolecular Chemistry in 2019. Related Products of 94928-86-6 The author mentioned the following in the article:

Fluoroalkylated alkynes R1CCR2 [R1 = Ph, 4-FC6H4, 3-thienyl, 2-pyridyl, etc.; R2 = EtO2CCF2, CF3, n-C4F9, (EtO)2P(O)CF2, etc.], which are versatile building blocks for the synthesis of various biol. active organofluorine compounds, were synthesized from easily available alkynyl halides R1CCX (X = Br, I) and fluoroalkyl halides R2X by visible-light photocatalysis. Addition of fluoroalkyl radicals to alkynes and subsequent dehalogenation selectively yielded fluoroalkylated alkynes. In the experiment, the researchers used many compounds, for example, fac-Tris(2-phenylpyridine)iridium(cas: 94928-86-6Related Products of 94928-86-6)

fac-Tris(2-phenylpyridine)iridium(cas: 94928-86-6) belongs to pyridine. Pyridine is very deactivated towards electrophilic substitution with respect to benzene. For this reason classical formylation, using methods such as the Gattermann or Vilsmeier reactions, are not generally successful. Related Products of 94928-86-6

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Koseki, Shiro; Yoshii, Masaki; Asada, Toshio; Fujimura, Yuichi; Matsushita, Takeshi; Yagi, Shigeyuki published their research in Journal of Physical Chemistry A in 2021. The article was titled 《Theoretical Design of Blue-Color Phosphorescent Complexes for Organic Light-Emitting Diodes: Emission Intensities and Nonradiative Transition Rate Constants in Ir(ppy)2(acac) Derivatives》.Computed Properties of C33H24IrN3 The article contains the following contents:

Theor. calculations of phosphorescent spectra and nonradiative transition (NRT) rate constants for S1 → T1, T1 → S0, and S1 → S0 were carried out to determine the best candidate for a blue-color phosphorescent complex among several derivatives of bis(2-phenylpyridine)(acetylacetonate)iridium(III). The geometries of the ground state (S0), the lowest triplet state (T1), and the lowest excited singlet state (S1) were optimized at the levels of d. functional theory, in which B3LYP functionals and SBKJC+p basis sets were used. The NRT rate constants were derived by using a generating function method within the displaced harmonic oscillator model. The results of the calculation for phosphorescence showed that the introduction of F and/or CN substituents at the 4′/6′-th and 5′-th sites in 2-phenylpyridinate (ppy) ligands, resp., causes a blue shift of the emission spectra. They also suggest that Ir(5-CN,6-F-ppy)2(acac), denoted 3(56) in the text, is a good candidate for a blue-color phosphorescent complex because a blue shift of emission spectra and a moderate intensity are obtained for phosphorescence and, furthermore, this complex is calculated to have a large rate constant for S1 → T1 and relatively smaller rate constants for T1 → S0 and S1 → S0 based on the calculations of spin-orbit coupling and nonadiabatic coupling constants The experimental process involved the reaction of fac-Tris(2-phenylpyridine)iridium(cas: 94928-86-6Computed Properties of C33H24IrN3)

fac-Tris(2-phenylpyridine)iridium(cas: 94928-86-6) belongs to pyridine. Pyridine is very deactivated towards electrophilic substitution with respect to benzene. For this reason classical formylation, using methods such as the Gattermann or Vilsmeier reactions, are not generally successful. Computed Properties of C33H24IrN3

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

《Vibrational Radiationless Transition from Triplet States of Chromophores at Room Temperature》 was written by Hirata, Shuzo; Bhattacharjee, Indranil. Reference of fac-Tris(2-phenylpyridine)iridiumThis research focused onvibrational radiationless transition triplet states chromophores room temperature. The article conveys some information:

The radiationless transition rate based on intramol. vibrations from the lowest excited triplet state (T1) at room temperature [knr(RT)] is crucial for triplet energy harvesting in optoelectronics and photonics applications. Although a decrease of knr(RT) of chromophores with strong intermol. interactions is often proposed, scientific evidence for this has not been reported. Here, we report a method to predict knr(RT). We optically estimated knr(RT) of various molecularly dispersed chromophores with a variety of transition characteristics from T1 to the ground state (S0) under appropriate inert liquid or solid host conditions. Spin-orbit coupling (SOC) without considering mol. vibrations was not correlated with the estimated knr(RT). However, the estimated knr(RT) was strongly correlated with a multiplication of SOC considering vibrations freely allowed at room temperature and the Franck-Condon factor. This correlation revealed that knr(RT) of many heavy-atom-free chromophores with a visible T1-S0 transition energy and local excited T1-S0 transition characteristics is intrinsically less than 100 s-1 even when vibrations freely occur. This information will assist researchers to appropriately design materials without limitations regarding intermol. interactions to control T1 lifetime at room temperature and facilitate triplet energy harvesting. In the experiment, the researchers used many compounds, for example, fac-Tris(2-phenylpyridine)iridium(cas: 94928-86-6Reference of fac-Tris(2-phenylpyridine)iridium)

fac-Tris(2-phenylpyridine)iridium(cas: 94928-86-6) belongs to pyridine. Pyridine-based materials are valued for their optical and physical properties as well as their medical potential. Additionally, pyridine-based natural products continue to be discovered and studied for their properties and to understand their biosynthesis.Reference of fac-Tris(2-phenylpyridine)iridium

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

In 2019,Journal of Chemical Physics included an article by Sanderson, Stephen; Philippa, Bronson; Vamvounis, George; Burn, Paul L.; White, Ronald D.. Application In Synthesis of fac-Tris(2-phenylpyridine)iridium. The article was titled 《Understanding charge transport in Ir(ppy)3:CBP OLED films》. The information in the text is summarized as follows:

Ir(ppy)3:CBP blends have been widely studied as the emissive layer in organic light emitting diodes (OLEDs), yet crucial questions about charge transport within the layer remain unaddressed. Recent mol. dynamics simulations show that the Ir(ppy)3 mols. are not isolated from each other, but at concentrations of as low as 5 weight % can be part of connected pathways. Such connectivity raises the question of how the iridium(III) complexes contribute to long-range charge transport in the blend. We implement a kinetic Monte Carlo transport model to probe the guest concentration dependence of charge mobility and show that distinct min. appear at approx. 10 weight % Ir(ppy)3 due to an increased number of trap states that can include interconnected complexes within the blend film. The depth of the min. is shown to be dependent on the elec. field and to vary between electrons and holes due to their different trapping depths arising from the different ionization potentials and electron affinities of the guest and host mols. Typical guest-host OLEDs use a guest concentration below 10 weight % to avoid triplet-triplet annihilation, so these results suggest that optimal device performance is achieved when there is significant charge trapping on the iridium(III) complex guest mols. and min. interactions of the emissive chromophores that can lead to triplet-triplet annihilation. (c) 2019 American Institute of Physics. In addition to this study using fac-Tris(2-phenylpyridine)iridium, there are many other studies that have used fac-Tris(2-phenylpyridine)iridium(cas: 94928-86-6Application In Synthesis of fac-Tris(2-phenylpyridine)iridium) was used in this study.

fac-Tris(2-phenylpyridine)iridium(cas: 94928-86-6) belongs to pyridine. Pyridines are often used as catalysts or reagents; particular notice has been paid recently to how pyridine coordinates to metal centers enabling a wide range of valuable reactions. Application In Synthesis of fac-Tris(2-phenylpyridine)iridium

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

The author of 《Switching between Copper-Catalysis and Photocatalysis for Tunable Halofluoroalkylation and Hydrofluoroalkylation of 1,6-Enynes toward 1-Indenones》 were Shen, Zheng-Jia; Wang, Shi-Chao; Hao, Wen-Juan; Yang, Shi-Zhao; Tu, Shu-Jiang; Jiang, Bo. And the article was published in Advanced Synthesis & Catalysis in 2019. Safety of fac-Tris(2-phenylpyridine)iridium The author mentioned the following in the article:

Radical cyclization/fluoroalkylation of enyne I with BrCF2CO2Et in presence of K2CO3 in MeCN at 120° under air using CuI and Me4Phen as catalyst afforded (E)-indenone II (68%) whereas the same substrates under visible light photocatalytic conditions with fac-Ir(ppy)3 in presence of Et3N in THF under N2 at room temperature afforded (Z)-III (59%). In the part of experimental materials, we found many familiar compounds, such as fac-Tris(2-phenylpyridine)iridium(cas: 94928-86-6Safety of fac-Tris(2-phenylpyridine)iridium)

fac-Tris(2-phenylpyridine)iridium(cas: 94928-86-6) belongs to pyridine. Pyridine is very deactivated towards electrophilic substitution with respect to benzene. For this reason classical formylation, using methods such as the Gattermann or Vilsmeier reactions, are not generally successful. Safety of fac-Tris(2-phenylpyridine)iridium

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

In 2019,Journal of Chemical Physics included an article by Sanderson, Stephen; Philippa, Bronson; Vamvounis, George; Burn, Paul L.; White, Ronald D.. Application In Synthesis of fac-Tris(2-phenylpyridine)iridium. The article was titled 《Understanding charge transport in Ir(ppy)3:CBP OLED films》. The information in the text is summarized as follows:

Ir(ppy)3:CBP blends have been widely studied as the emissive layer in organic light emitting diodes (OLEDs), yet crucial questions about charge transport within the layer remain unaddressed. Recent mol. dynamics simulations show that the Ir(ppy)3 mols. are not isolated from each other, but at concentrations of as low as 5 weight % can be part of connected pathways. Such connectivity raises the question of how the iridium(III) complexes contribute to long-range charge transport in the blend. We implement a kinetic Monte Carlo transport model to probe the guest concentration dependence of charge mobility and show that distinct min. appear at approx. 10 weight % Ir(ppy)3 due to an increased number of trap states that can include interconnected complexes within the blend film. The depth of the min. is shown to be dependent on the elec. field and to vary between electrons and holes due to their different trapping depths arising from the different ionization potentials and electron affinities of the guest and host mols. Typical guest-host OLEDs use a guest concentration below 10 weight % to avoid triplet-triplet annihilation, so these results suggest that optimal device performance is achieved when there is significant charge trapping on the iridium(III) complex guest mols. and min. interactions of the emissive chromophores that can lead to triplet-triplet annihilation. (c) 2019 American Institute of Physics. In addition to this study using fac-Tris(2-phenylpyridine)iridium, there are many other studies that have used fac-Tris(2-phenylpyridine)iridium(cas: 94928-86-6Application In Synthesis of fac-Tris(2-phenylpyridine)iridium) was used in this study.

fac-Tris(2-phenylpyridine)iridium(cas: 94928-86-6) belongs to pyridine. Pyridines are often used as catalysts or reagents; particular notice has been paid recently to how pyridine coordinates to metal centers enabling a wide range of valuable reactions. Application In Synthesis of fac-Tris(2-phenylpyridine)iridium

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem