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Ai3-14932, also known as 4,5-diphenylimidazole, is a white to light yellow crystalline powder with a molecular formula of C15H12N2. It is a chemical compound that serves as a building block in the synthesis of organic electronic materials, such as organic light-emitting diodes (OLEDs) and organic photovoltaics (OPVs). Ai3-14932 also has potential applications as a sensitizing agent in chemiluminescent reactions, a fluorescent probe in biological studies, and as a candidate for anti-cancer and anti-inflammatory properties. However, further research is needed to fully understand its biological and chemical properties.

96937-50-7

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96937-50-7 Usage

Uses

Used in Organic Electronic Materials Industry:
Ai3-14932 is used as a building block for the synthesis of organic electronic materials, such as OLEDs and OPVs, due to its unique chemical structure and properties.
Used in Chemiluminescent Reactions:
Ai3-14932 is used as a sensitizing agent in chemiluminescent reactions, enhancing the efficiency and performance of these processes.
Used in Biological Studies:
Ai3-14932 is used as a fluorescent probe in biological studies, allowing researchers to track and visualize specific biological processes and interactions.
Used in Pharmaceutical Research:
Ai3-14932 has been studied for its potential anti-cancer and anti-inflammatory properties, making it a candidate for further research and development in the pharmaceutical industry.

Check Digit Verification of cas no

The CAS Registry Mumber 96937-50-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 9,6,9,3 and 7 respectively; the second part has 2 digits, 5 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 96937-50:
(7*9)+(6*6)+(5*9)+(4*3)+(3*7)+(2*5)+(1*0)=187
187 % 10 = 7
So 96937-50-7 is a valid CAS Registry Number.
InChI:InChI=1/C7H8O2/c1-5-4-6(8)2-3-7(5)9/h2-4,8-9H,1H3

96937-50-7SDS

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 2-Methyl-1,4-benzenediol

1.2 Other means of identification

Product number -
Other names -

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:96937-50-7 SDS

96937-50-7Relevant academic research and scientific papers

Can Donor Ligands Make Pd(OAc)2a Stronger Oxidant? Access to Elusive Palladium(II) Reduction Potentials and Effects of Ancillary Ligands via Palladium(II)/Hydroquinone Redox Equilibria

Bruns, David L.,Musaev, Djamaladdin G.,Stahl, Shannon S.

supporting information, p. 19678 - 19688 (2020/12/18)

Palladium(II)-catalyzed oxidation reactions represent an important class of methods for selective modification and functionalization of organic molecules. This field has benefitted greatly from the discovery of ancillary ligands that expand the scope, reactivity, and selectivity in these reactions; however, ancillary ligands also commonly poison these reactions. The different influences of ligands in these reactions remain poorly understood. For example, over the 60-year history of this field, the PdII/0 redox potentials for catalytically relevant Pd complexes have never been determined. Here, we report the unexpected discovery of (L)PdII(OAc)2-mediated oxidation of hydroquinones, the microscopic reverse of quinone-mediated oxidation of Pd0 commonly employed in PdII-catalyzed oxidation reactions. Analysis of redox equilibria arising from the reaction of (L)Pd(OAc)2 and hydroquinones (L = bathocuproine, 4,5-diazafluoren-9-one), generating reduced (L)Pd species and benzoquinones, provides the basis for determination of (L)PdII(OAc)2 reduction potentials. Experimental results are complemented by density functional theory calculations to show how a series of nitrogen-based ligands modulate the (L)PdII(OAc)2 reduction potential, thereby tuning the ability of PdII to serve as an effective oxidant of organic molecules in catalytic reactions.

1-Methyl-1,4-cyclohexadiene as a Traceless Reducing Agent for the Synthesis of Catechols and Hydroquinones

Baschieri, Andrea,Amorati, Riccardo,Valgimigli, Luca,Sambri, Letizia

, p. 13655 - 13664 (2019/10/28)

Pro-aromatic and volatile 1-methyl-1,4-cyclohexadiene (MeCHD) was used for the first time as a valid H-atom source in an innovative method to reduce ortho or para quinones to obtain the corresponding catechols and hydroquinones in good to excellent yields. Notably, the excess of MeCHD and the toluene formed as the oxidation product can be easily removed by evaporation. In some cases, trifluoroacetic acid as a catalyst was added to obtain the desired products. The reaction proceeds in air and under mild conditions, without metal catalysts and sulfur derivatives, resulting in an excellent and competitive method to reduce quinones. The mechanism is attributed to a radical reaction triggered by a hydrogen atom transfer from MeCHD to quinones, or, in the presence of trifluoroacetic acid, to a hydride transfer process.

Regioselective synthesis of gentisyl alcohol-type marine natural products

Wang, Hong-Shuang,Li, Hui-Jing,Wang, Long-Fei,Shen, Zhi-Lun,Wu, Yan-Chao

supporting information, p. 1891 - 1896 (2018/05/29)

Gentisyl alcohol-type natural products, possessing various important biological properties, have been synthesized from 4-methoxyphenol by using a selective phenol monohydroxymethylation/monochlorination, a CAN oxidation and a sodium dithionite reduction as the key steps. The natural product synthesis is efficient, atom- and step-economical, and requires no protecting groups.

METHOD AND AGENT FOR TRANSPORTING HYDROGEN

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Paragraph 0038; 0039; 0040; 0041; 0048; 0049; 0050; 0051, (2019/05/22)

To provide techniques for transporting hydrogen in which problems of energy loss and biological safety are mitigated.SOLUTION: Provided is an agent which is used when transporting hydrogen from location A to location B. This agent is a compound represented by general formula [I] in the figure.SELECTED DRAWING: Figure 1

Direct Synthesis of Hydroquinones from Quinones through Sequential and Continuous-Flow Hydrogenation-Derivatization Using Heterogeneous Au–Pt Nanoparticles as Catalysts

Miyamura, Hiroyuki,Tobita, Fumiya,Suzuki, Aya,Kobayashi, Shū

supporting information, p. 9220 - 9224 (2019/06/13)

Pt–Au bimetallic nanoparticle catalysts immobilized on dimethyl polysilane (Pt–Au/(DMPSi-Al2O3)) have been developed for selective hydrogenation of quinones to hydroquinones. High reactivity, selectivity, and robustness of the catalysts were confirmed under continuous-flow conditions. Various direct derivatizations of quinones, such as methylation, acetylation, trifluoromethanesulfonylation, methacrylation, and benzoylation were successfully performed under sequential and continuous-flow conditions to afford the desired products in good to excellent yields. Especially, air-sensitive hydroquinones, such as anthrahydroquinones and naphthohydroquinones, could be successfully generated and derivatized under closed sequential and continuous-flow conditions without decomposition.

The synthesis and evaluation of thymoquinone analogues as anti-ovarian cancer and antimalarial agents

Johnson-Ajinwo, Okiemute Rosa,Ullah, Imran,Mbye, Haddijatou,Richardson, Alan,Horrocks, Paul,Li, Wen-Wu

supporting information, p. 1219 - 1222 (2018/03/12)

Thymoquinone (TQ), 2-isopropyl-5-methyl-1,4-benzoquinone, a natural product isolated from Nigella sativa L., has previously been demonstrated to exhibit antiproliferative activity in vitro against a range of cancers as well as the human malarial parasite Plasmodium falciparum. We describe here the synthesis of a series of analogues of TQ that explore the potential for nitrogen-substitution to this scaffold, or reduction to a hydroquinone scaffold, in increasing the potency of this antiproliferative activity against ovarian cancer cell lines and P. falciparum. In addition, alkyl or halogen-substituted analogues were commercially sourced and tested in parallel. Several TQ analogues with improved potency against ovarian cancer cells and P. falciparum were found, although this increase is suggested to be moderate. Key aspects of the structure activity relationship that could be further explored are highlighted.

Pyroline derivative, and preparation method and application thereof

-

Paragraph 0055; 0056; 0059-0060, (2018/06/15)

The invention discloses a pyroline derivative. The pyroline derivative has a chemical structural formula which is described in the specification. According to the invention, the pyroline derivative isobtained through an esterification reaction of pyroline and ibuprofen by using dicyclohexylcarbodiimide as a dehydrating agent and 4-dimethylaminopyridine as a catalyst in an alkaline environment provided by triethylamine. Acute toxicity test results show that the pyroline derivative provided by the invention is non-toxic, while pharmacodynamic test results show that the pyroline derivative provided by the invention has better anti-inflammatory and analgesic effects compared with pyroline, ibuprofen technical and a physical mixture of the pyroline and the ibuprofen technical with equivalent amounts, and has potential application in preparation of anti-inflammatory and analgesic drugs.

Pd0-PyPPh2@porous organic polymer: Efficient heterogeneous nanoparticle catalyst for dehydrogenation of 3-methyl-2-cyclohexen-1-one without extra oxidants and hydrogen acceptors

Chen, Xingkun,Wang, Wenlong,Zhu, Hejun,Yang, Wenshao,Ding, Yunjie

, p. 49 - 56 (2018/07/24)

In this contribution, we have developed an efficient and recyclable porous organic polymer (POP) supported Pd nanoparticle catalyst (Pd°-PyPPh2@POP) for dehydrogenation of 3-methyl-2-cyclohexen-1-one. This heterogeneous catalytic system represents a totally clean process without using any extra oxidant and hydrogen acceptors. The SEM-EDS mapping images of the Pd°-PyPPh2@POP catalyst reveal the highly uniformly dispersed character of C, Pd, P and N elements. The coordination bonds between Pd nanoparticle and exposed P atom as well as N atom on the surface of PyPPh2@POP polymer are confirmed by means of solid-state 31P NMR and XPS. Importantly, both P atom and pyridyl ring on the PyPPh2@POP polymer are themselves used as solid base over the Pd°-PyPPh2@POP catalyst, leading to a catalytic conversion of 88.2% even without the employment of inorganic base additives (K2CO3). Our results have provided a strategy for designing highly active bifunctional POP supported nanoparticle catalysts.

Glycyrrhetinate and preparation method thereof and application thereof to preparation of antiviral medicine

-

Paragraph 0050; 0053; 0054; 0055, (2018/07/30)

The invention discloses glycyrrhetinate. The glycyrrhetinate adopts a chemical structural formula as follows: FORMULA, and can be obtained by performing a reaction on pyroline and glycyrrhetinic acidin an oil-water two-phase system consisting of a water-insoluble organic solvent and an alkaline aqueous solution. The compound is almost non-toxic, has a relatively good therapeutic effect, which issuperior to that of the glycyrrhetinic acid, on chicken bursal disease, and can be used as a novel medicine for treating the chicken bursal disease.

A O-methyl P-benzoquinone merabilite series of reducing agent for producing O-methyl hydroquinone method (by machine translation)

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Paragraph 0009-0026, (2018/11/10)

A O-methyl P-benzoquinone merabilite series of reducing agent for producing O-methyl hydroquinone method, the O methyl hydroquinone in the extract, adding water, access sulfur series of reducing agent, the stirring reaction, sampling analysis, to the system in a non-adjacent methyl P-benzoquinone that to the end point of the reaction, the solution standing, extraction, get O-methyl hydroquinone extract, the reduction reaction to produce and mix the solution gets the extract for removing water through the pressure reducing and desolution of the extractant, ortho-methyl hydroquinone to the aqueous solution, and then by decolorization, concentrated under reduced pressure, cooling crystallization, drying to obtain the O-methyl hydroquinone product. This invention compared with the traditional process for preparing iron, mild reaction conditions, energy-efficient, clean and environmental protection, the conversion is high and the product quality is good, at the same time compared with the catalytic hydrogenation with palladium, short reaction time, low investment cost, product loss is small, and the reaction product sulfuric acid can be used as O-methyl aniline legal system to the benzoquinone raw material, more economic. (by machine translation)

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