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1-(4-TrifluoroMethyl-phenyl)-isoquinoline is a chemical compound that features an isoquinoline core with a 4-trifluoromethylphenyl group attached at the 1 position. This substituted isoquinoline derivative possesses a unique structure that may confer potential biological activity, making it a candidate of interest in medicinal chemistry and pharmaceutical research. The presence of the trifluoromethyl group could enhance its pharmacokinetic properties and metabolic stability, although further research is required to elucidate its full potential in the fields of chemistry and medicine.

76304-18-2

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76304-18-2 Usage

Uses

Used in Medicinal Chemistry:
1-(4-TrifluoroMethyl-phenyl)-isoquinoline is used as a chemical entity in medicinal chemistry for its potential to interact with biological targets due to its distinctive molecular structure. The trifluoromethyl group may also contribute to its pharmacokinetic profile, potentially improving its absorption, distribution, metabolism, and excretion within biological systems.
Used in Pharmaceutical Research:
In pharmaceutical research, 1-(4-TrifluoroMethyl-phenyl)-isoquinoline is utilized as a compound of interest for the development of new drugs. Its unique structure may allow it to modulate biological pathways or target specific receptors, offering a new avenue for therapeutic intervention. The trifluoromethyl group could enhance the compound's metabolic stability, which is crucial for the longevity and effectiveness of potential drug candidates.
Further research is essential to fully understand the properties and potential uses of 1-(4-TrifluoroMethyl-phenyl)-isoquinoline, including its safety, efficacy, and optimal applications in various therapeutic areas.

Check Digit Verification of cas no

The CAS Registry Mumber 76304-18-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,6,3,0 and 4 respectively; the second part has 2 digits, 1 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 76304-18:
(7*7)+(6*6)+(5*3)+(4*0)+(3*4)+(2*1)+(1*8)=122
122 % 10 = 2
So 76304-18-2 is a valid CAS Registry Number.

76304-18-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-tfmpiq

1.2 Other means of identification

Product number -
Other names 1-(4-fluoromethylphenyl)isoquinoline

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:76304-18-2 SDS

76304-18-2Relevant articles and documents

Four new cyclometalated phenylisoquinoline-based Ir(III) complexes: Syntheses, structures, properties and DFT calculations

Niu, Zhi-Gang,Liu, Dong,Li, Da-Chao,Zuo, Jing,Yang, Jian-Ming,Su, You-Hui,Yang, Yi-Ding,Li, Gao-Nan

, p. 146 - 150 (2014)

Four new cyclometalated phenylisoquinoline-based iridium(III) complexes [Ir(?N)2(bipy)]PF6 (5a-5d) (bipy = 2,2′-bipyridine) have been synthesized and fully characterized, where the ?N ligands are 1-(4-(trifluoromethyl)phenyl)isoquino

Saturated red iridium(iii) complexes containing a unique four-membered Ir-S-C-N backbone: Mild synthesis and application in OLEDs

Lu, Guangzhao,Yao, Jingwen,Chen, Zhanxiang,Ma, Dongge,Yang, Chuluo

, p. 1391 - 1397 (2020)

A series of new iridium(iii) cyclometalated complexes (4tfmpiq)2Ir(tiptha), (4tfmpiq)2Ir(phdiptha), (4tfmpiq)2Ir(fphdiptha) and (4tfmpiq)2Ir(ipdptha) (4tfmpiq = 4-(4-(trifluoromethyl)phenyl)isoquinoline, tiptha

Deep-Red and Near-Infrared Iridium Complexes with Fine-Tuned Emission Colors by Adjusting Trifluoromethyl Substitution on Cyclometalated Ligands Combined with Matched Ancillary Ligands for Highly Efficient Phosphorescent Organic Light-Emitting Diodes

Bi, Hai,Chen, Shuonan,Liu, Yu,Tian, Wenjing

, (2022/01/08)

Six novel Ir(C?N)2 (L?X)-type heteroleptic iridium complexes with deep-red and near-infrared region (NIR)-emitting coverage were constructed through the cross matching of various cyclometalating (C?N) and ancillary (LX) ligands. Here, three nov

Phase-selective modulation of TiO2 for visible light-driven C–H arylation: Tuning of absorption and adsorptivity

Bak, Sora,Lee, Sae Mi,Hwang, Hee Min,Lee, Hyoyoung

, p. 71 - 76 (2019/05/08)

To understand and modify TiO2 for organic photoreaction, two points are important: improving light absorption and retaining adsorption sites for organic reagents. Herein, we tuning the absorption and adsorption of TiO2 by introducing

Highly Luminescent Mono- and Dinuclear Cationic Iridium(III) Complexes Containing Phenanthroline-Based Ancillary Ligand

Yang, Xiao-Han,Li, Min,Peng, Hui,Zhang, Qian,Wu, Shui-Xing,Xiao, Wan-Qing,Chen, Xing-Liang,Niu, Zhi-Gang,Chen, Guang-Ying,Li, Gao-Nan

, p. 847 - 855 (2019/02/13)

A new family of mononuclear (1–2) and dinuclear (3–5) cationic iridium(III) complexes have been synthesized and fully characterized. These complexes contain 2-(4-(trifluoromethyl)phenyl)pyridine (cf3ppy, L1) and 1-(4-(trifluoromethyl)phenyl)iso

Photoluminescence and electroluminescence of four orange-red and red organic iridium(III) complexes

Su, Ning,Zheng, You-Xuan

, p. 35 - 42 (2018/09/29)

Using 1-(4-(trifluoromethyl)phenyl)isoquinoline (tfmpiq) and 4-(4-(trifluoromethyl)phenyl) quinazoline (tfmpqz) as the main ligands and pyrazole pyridine derivatives (mepzpy: 2-(3-methyl-1H-pyrazol-5-yl)pyridine, cf3pzpy: 2-(3-(trifluoromethyl)-1H-pyrazol

Hybrid Catalysis Enabling Room-Temperature Hydrogen Gas Release from N-Heterocycles and Tetrahydronaphthalenes

Kato, Shota,Saga, Yutaka,Kojima, Masahiro,Fuse, Hiromu,Matsunaga, Shigeki,Fukatsu, Arisa,Kondo, Mio,Masaoka, Shigeyuki,Kanai, Motomu

, p. 2204 - 2207 (2017/02/23)

Hybrid catalyst systems to achieve acceptorless dehydrogenation of N-heterocycles and tetrahydronaphthalenes-model substrates for liquid organic hydrogen carriers-were developed. A binary hybrid catalysis comprising an acridinium photoredox catalyst and a Pd metal catalyst was effective for the dehydrogenation of N-heterocycles, whereas a ternary hybrid catalysis comprising an acridinium photoredox catalyst, a Pd metal catalyst, and a thiophosphoric imide organocatalyst achieved dehydrogenation of tetrahydronaphthalenes. These hybrid catalyst systems allowed for 2 molar equiv of H2 gas release from six-membered N-heterocycles and tetrahydronaphthalenes under mild conditions, i.e., visible light irradiation at rt. The combined use of two or three different catalyst types was essential for the catalytic activity.

Method for solvent accelerated selective dehydrogenation of tetrahydroisoquinoline type compound

-

Paragraph 0039; 0040; 0041; 0042; 0043, (2017/07/22)

The invention discloses a method for synthesizing 1-substituted-3,4-dihydroisoquinoline through the solvent accelerated selective partial dehydrogenation of a 1-substituted-1,2,3,4-tetrahydroisoquinoline compound. For a simple and easily obtained cyclic amine type compound such as a tetrahydroisoquinoline compound, a corresponding imine compound can be obtained through selective dehydrogenation; the conversion ratio of the cyclic amine type compound is higher; further, the proportion of a partially dehydrogenated product to a fully dehydrogenated product is more than 20 to 1. The method is simple and convenient to operate, is practical, easy and feasible, and is mild in reaction condition; the actual cost is greatly reduced. In addition, a method for synthesizing 3,4-dihydroisoquinoline through the direct dehydrogenation of tetrahydroisoquinoline has the advantages of atom economy and environmental friendliness.

Synthesis, photophysical, electrochemical and electroluminescence studies of red emitting phosphorescent Ir(III) heteroleptic complexes

Ali, Farman,Nayak, Pabitra K,Periasamy,Agarwal, Neeraj

, p. 1391 - 1398 (2017/09/25)

Abstract: Five heteroleptic, cyclometalated (C∧N) Iridium(III) complexes of acetylacetone (acac) and 1-phenyl-isoquinoline (piq) derivatives, Ir(acac)(piq)2, Ir(acac)(2,4-difluoro-piq)2, Ir(acac)(4-trifluoromethyl-piq)2, Ir(acac)(4-N,N-dimethyl-piq)2, Ir(acac)(4-acetyl-piq)2, were synthesized and characterized. The (C ∧N ) 2Ir(acac) complexes in toluene showed phosphorescence (λ max= 598 nm to 658 nm) with quantum yields (0.1 to 0.32) and microsecond lifetimes (0.43 to 1.9 μ s). The complexes were non-luminescent in thin films due to self-quenching but luminescent when lightly doped (5%) in a host organic material, 4,4′-Bis(N-carbazolyl)-1,1′-biphenyl (CBP). The HOMO levels determined using cyclic voltammetric oxidation potentials were in the range ?5.48 to ?5.80 eV. Electroluminescence properties and performance of the Ir complexes doped in CBP (active layer) were studied in a multilayer (ITO/F4TCNQ/TPD/doped CBP/BCP/LiF/Al) organic light emitting device (OLED). The electroluminescense (EL) spectra of the device matched with the phosphorescent spectra of the Ir complexes. The turn-on voltage at ~ 4.5 V, maximum brightness of 7600 cd/m 2 and current efficiency of ~ 7.0 cd/A at a brightness of ~ 100 cd/m 2 indicate that these are promising OLED materials. GRAPHICAL ABSTRACT: Synopsis. Heteroleptic, cyclometalated (C∧N) Iridium(III) complexes of acetylacetone (acac) and 1-phenyl-isoquinoline were synthesized and their photophysical, electrochemical and electroluminescence properties were studied. The OLED of Ir complex as emitting material showed turn-on voltage at ~ 4.5 V, maximum brightness of 7600 cd/m 2 and current efficiency of ~ 7.0 cd/A at a brightness of ~ 100 cd/m 2.[Figure not available: see fulltext.].

Photochemical properties of red-emitting tris(cyclometalated) iridium(III) complexes having basic and nitro groups and application to ph sensing and photoinduced cell death

Kando, Aya,Hisamatsu, Yosuke,Ohwada, Hiroki,Itoh, Taiki,Moromizato, Shinsuke,Kohno, Masahiro,Aoki, Shin

, p. 5342 - 5357 (2015/06/16)

Cyclometalated iridium(III) complexes, because of their photophysical properties, have the potential for use as luminescent probes for cellular imaging. We previously reported on a pH-activatable iridium complex that contains three N,N-diethylamino groups

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