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Ethanedione, (3-bromophenyl)phenyl-, also known as 3-bromobenzoylacetylacetone, is a chemical compound with the molecular formula C14H11BrO2. It is a derivative of acetylacetone and is commonly used as a chelating ligand in coordination chemistry. Known for its ability to form stable complexes with metal ions, this versatile compound has a wide range of uses in the field of chemistry and beyond, including potential applications in pharmaceuticals and agrochemicals.

40396-54-1

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40396-54-1 Usage

Uses

Used in Coordination Chemistry:
Ethanedione, (3-bromophenyl)phenylis used as a chelating ligand for forming stable complexes with metal ions, which is crucial in various chemical and biological applications.
Used in Organic Synthesis:
In the field of organic synthesis, ethanedione, (3-bromophenyl)phenylserves as a valuable reagent, contributing to the creation of a multitude of organic compounds.
Used in Pharmaceutical Production:
Ethanedione, (3-bromophenyl)phenylis utilized as a building block in the production of pharmaceuticals, playing a key role in the development of new drugs.
Used in Agrochemical Production:
Ethanedione, (3-bromophenyl)phenylalso finds use in the production of agrochemicals, where it may contribute to the development of more effective and targeted products for agricultural use.
Used in Anti-Cancer Research:
Ethanedione, (3-bromophenyl)phenylhas been studied for its potential anti-cancer properties, indicating its possible use in the development of cancer treatments.
Used in Anti-Inflammatory Research:
Additionally, Ethanedione, (3-bromophenyl)phenyl- has been investigated for its anti-inflammatory properties, suggesting a potential role in the creation of treatments for inflammatory conditions.

Check Digit Verification of cas no

The CAS Registry Mumber 40396-54-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 4,0,3,9 and 6 respectively; the second part has 2 digits, 5 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 40396-54:
(7*4)+(6*0)+(5*3)+(4*9)+(3*6)+(2*5)+(1*4)=111
111 % 10 = 1
So 40396-54-1 is a valid CAS Registry Number.

40396-54-1SDS

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 1-(3-bromophenyl)-2-phenylethane-1,2-dione

1.2 Other means of identification

Product number -
Other names Ethanedione,(3-bromophenyl)phenyl

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:40396-54-1 SDS

40396-54-1Relevant academic research and scientific papers

Conversion of alkynes into 1,2-diketones using HFIP as sacrificial hydrogen donor and DMSO as dihydroxylating agent

Gujjarappa, Raghuram,Vodnala, Nagaraju,Putta,Ganga Reddy, Velma,Malakar, Chandi C.

supporting information, (2020/01/21)

A metal-free and hypervalent iodine free conversion of internal alkynes into 1,2-diketo compounds has been described. The efficacy of the present protocol rely on the use of HFIP (1,1,1,3,3,3-Hexafluoro-2-propanol) as reducing agent of alkynes and DMSO as dihydroxylating agent of olefins to acquire the desired chemical transformations. The obtained 1,2-diketones were further transformed into useful derivatives.

Design, synthesis and evaluation of 2-amino-imidazol-4-one derivatives as potent β-site amyloid precursor protein cleaving enzyme 1 (BACE-1) inhibitors

Fan, Tian-Yuan,Wu, Wen-Yu,Yu, Shao-Peng,Zhong, Yue,Zhao, Chao,Chen, Min,Li, He-Min,Li, Nian-Guang,Chen, Zhi,Chen, Sai,Sun, Zhi-Hui,Duan, Jin-Ao,Shi, Zhi-Hao

, (2019/11/20)

Inhibition of β-site amyloid precursor protein cleaving enzyme 1 (BACE1) to prevent brain β-amyloid (Aβ) peptide's formation is a potential effective approach to treat Alzheimer's disease. In this report we described a structure-based optimization of a series of BACE1 inhibitors derived from an iminopyrimidinone scaffold W-41 (IC50 = 7.1 μM) by Wyeth, which had good selectivity and brain permeability but low activity. The results showed that occupying the S3 cavity of BACE1 enzyme could be an effective strategy to increase the biological activity, and five compounds exhibited stronger inhibitory activity and higher liposolubility than W-41, with L-5 was the most potent inhibitor against BACE1 (IC50 = 0.12 μM, logP = 2.49).

Tailoring the Molecular Properties with Isomerism Effect of AIEgens

Chen, Ming,Liu, Junkai,Liu, Feng,Nie, Han,Zeng, Jiajie,Lin, Gengwei,Qin, Anjun,Tu, Mei,He, Zikai,Sung, Herman H. Y.,Williams, Ian D.,Lam, Jacky W. Y.,Tang, Ben Zhong

, (2019/08/01)

It is challenging to achieve precise control on the properties of organic π-functional materials to widen their practical applications. On the other hand, the study of aggregation-induced emission luminogens (AIEgens) helps achieve such goals because of i

Preparing method of photocatalytic alpha-diketone compound

-

Paragraph 0035-0037; 0039-0041, (2017/08/28)

The invention belongs to the technical field of medical and chemical intermediates and related chemicals, and provides a preparing method of photocatalytic alpha-diketone compound. Phenylacetylene and the derivative thereof are used as raw materials, and under the lighting condition, under the combined action of a semiconductor photocatalyst and an additive, alpha-diketone compound is generated through air oxygen in organic solvent. The preparing method has the advantages of being easy to operate, mild in condition and environmentally friendly, has probability of industrialization and obtains the alpha-diketone compound at the high yield, and the catalyst is recyclable. The alpha-diketone compound synthesized through the method can be further functionalized to obtain various compounds applied to development and research of natural products, function materials and fine chemicals.

Polymer precursor and its manufacturing method for production of nano-ribbon graphene

-

Paragraph 0054; 0082-0084, (2017/01/02)

An oligophenylene monomer of general formula (I) wherein R1 and R2 are independently of each other H, halogene, —OH, —NH2, —CN, —NO2 or a linear or branched, saturated or unsaturated C1-C40 hydrocarbon residue, which can be substituted 1- to 5-fold with h

Copper-catalyzed base-accelerated direct oxidation of C-H bond to synthesize benzils, isatins, and quinoxalines with molecular oxygen as terminal oxidant

Yu, Jing-Wen,Mao, Shuai,Wang, Yong-Qiang

, p. 1575 - 1580 (2015/03/14)

We describe herein an efficient and general copper (II)-catalyzed base-accelerated oxidation of the C-H bond to synthesize benzils and isatins. With similar oxidation system an efficient one-pot procedure for the synthesis of quinoxaline derivatives was realized. The two protocols feature using molecular oxygen as terminal oxidant, low catalyst loading, wide substrate scope, and high functional-group tolerance.

One-pot, two-step desymmetrization of symmetrical benzils catalyzed by the methylsulfinyl (dimsyl) anion

Ragno, Daniele,Bortolini, Olga,Giovannini, Pier Paolo,Massi, Alessandro,Pacifico, Salvatore,Zaghi, Anna

, p. 5733 - 5744 (2014/07/22)

An operationally simple one-pot, two-step procedure for the desymmetrization of benzils is herein described. This consists in the chemoselective cross-benzoin reaction of symmetrical benzils with aromatic aldehydes catalyzed by the methyl sulfinyl (dimsyl) anion, followed by microwave-assisted oxidation of the resulting benzoylated benzoins with nitrate, avoiding the costly isolation procedure. Both electron-withdrawing and electron-donating substituents may be accommodated on the aromatic rings of the final unsymmetrical benzil. the Partner Organisations 2014.

Asymmetric transfer hydrogenation of unsymmetrical benzils

Zhang, Hao,Feng, Dandan,Sheng, Haibo,Ma, Xuebing,Wan, Jinwei,Tang, Qian

, p. 6417 - 6423 (2014/02/14)

In this paper, the asymmetric transfer hydrogenation of unsymmetrical benzils with m, p-substituents was conducted with a substrate/catalyst molar ratio of 100 at 40°C for 24 h to produce (S,S)-hydrobenzoins in good yields (76.2% to 97.1%) with high diastereomeric (syn/anti = 10.8 to 29.7/1) and enantiomeric purities (86.1%ee syn to 98.9%ee syn). Unfortunately, the unsymmetrical benzils with the o-substituents such as electron-donating (R = CH3, OCH3) and electron-withdrawing groups (R = F, Cl, CF3) resulted in poor yields (0% to 31.2%), even at 40°C for 72 h. These products had inefficient diastereoselectivities (syn/anti = 1.5 to 5.0/1) caused by steric effects. Furthermore, the results of a dynamic-kinetic study were used to propose a plausible reaction pathway of unsymmetrical benzil using 3-methoxy-1,2-diphenyl ethanedione as an example.

POLYMERIC PRECURSORS FOR PRODUCING GRAPHENE NANORIBBONS AND METHODS FOR PREPARING THEM

-

Page/Page column, (2014/12/09)

An oligophenylene monomer of general formula (I) wherein R1 and R2 are independently of each other H, halogene, —OH, —NH2, —CN, —NO2 or a linear or branched, saturated or unsaturated C1-C40 /sub

Catalyst-controlled highly selective coupling and oxygenation of olefins: A direct approach to alcohols, ketones, and diketones

Su, Yijin,Sun, Xiang,Wu, Guolin,Jiao, Ning

supporting information, p. 9808 - 9812 (2013/09/23)

Oxygen? That's radical! A method for the direct synthesis of substituted alcohols, ketones, and diketones through a catalyst-controlled highly chemoselective coupling and oxygenation of olefins has been developed. The method is simple and practical, can be switched by the selection of different catalysts, and employs molecular oxygen as both an oxidant and a reagent. Copyright

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