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2-bromo-1-pyridin-2-yl-ethanone, also known as 1-(2-bromophenyl)-2-pyridinyl-ethanone, is a chemical compound belonging to the class of organobromides and organoheterocyclic compounds. It features a molecular formula of C8H8BrNO and is characterized by the presence of a brominated ethanone group and a pyridin-2-yl group. Due to its less common usage, specific properties such as melting point, boiling point, density, and solubility are not widely documented. 2-bromo-1-pyridin-2-yl-ethanone is primarily utilized in chemical and pharmaceutical research for the synthesis of other compounds, but its safety, reactivity, and environmental impacts are not well-studied, necessitating careful handling.

40086-66-6

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40086-66-6 Usage

Uses

Used in Chemical Research:
2-bromo-1-pyridin-2-yl-ethanone is used as a synthetic intermediate for the preparation of various organic compounds. Its unique structure allows for the formation of new chemical entities with potential applications in different fields.
Used in Pharmaceutical Research:
In the pharmaceutical industry, 2-bromo-1-pyridin-2-yl-ethanone serves as a key building block for the development of novel drug candidates. Its structural features can be exploited to design and synthesize new molecules with potential therapeutic properties.
Used in Synthesis of Bioactive Compounds:
2-bromo-1-pyridin-2-yl-ethanone is employed as a starting material for the synthesis of bioactive compounds with potential applications in medicinal chemistry. Its reactivity and functional group compatibility make it a valuable component in the construction of complex molecular architectures.
Used in Material Science:
In material science, 2-bromo-1-pyridin-2-yl-ethanone can be utilized as a precursor for the development of new materials with specific properties, such as conductivity, magnetism, or optical activity. Its incorporation into polymers or other materials can lead to the creation of innovative materials with unique characteristics.

Check Digit Verification of cas no

The CAS Registry Mumber 40086-66-6 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 4,0,0,8 and 6 respectively; the second part has 2 digits, 6 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 40086-66:
(7*4)+(6*0)+(5*0)+(4*8)+(3*6)+(2*6)+(1*6)=96
96 % 10 = 6
So 40086-66-6 is a valid CAS Registry Number.
InChI:InChI=1/C7H7BrN2O/c8-5-7(11)10-6-3-1-2-4-9-6/h1-4H,5H2,(H,9,10,11)

40086-66-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-Bromo-1-(pyridin-2-yl)ethanone

1.2 Other means of identification

Product number -
Other names 2-bromo-1-pyridin-2-ylethanone

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:40086-66-6 SDS

40086-66-6Relevant academic research and scientific papers

Base-Catalyzed Intramolecular Defluorination/O-Arylation Reaction for the Synthesis of 3-Fluoro-1,4-oxathiine 4,4-Dioxide

Kang, Lei,Zhang, Jinlong,Yang, Huameng,Qian, Jinlong,Jiang, Gaoxi

supporting information, p. 785 - 789 (2021/04/09)

A novel process involving base-catalyzed intramolecular defluorination/O-arylation of readily available α-fluoro-β-one-sulfones was realized and provided a series of 3-fluoro-1,4-oxathiine 4,4-dioxide derivatives in good to excellent yields. Unlike traditional defluorination reactions with stoichiometric base as the deacid reagent, this process is triggered by a catalytic amount of base (TMG: tetramethylguanidine) and molecular sieves serve as both an adsorbent to remove HF acid and an activator to assist C-F bond cleavage.

Application of poly(vinylphenyltrimethylammonium tribromide) resin as an efficient polymeric brominating agent in the α-bromination and α-bromoacetalization of acetophenones

Han, Bingbing,Zheng, Zubiao,Zheng, Dongcheng,Zhang, Lei,Cui, Peng,Shi, Jianjun,Li, Changjiang

supporting information, p. 2512 - 2520 (2019/07/04)

The applications of a new supported tribromide reagent based on poly(vinylbenzyltrimethylammonium hydroxide) resin (Amberlite 717) were reported. This supported tribromide resin was used directly in α-bromination and α-bromoacetalization of acetophenones without any other catalyst under mild conditions. The effects of solvents and the amount of the supported tribromide resin on the reactions were investigated. Under the optimal conditions, most of α-bromo and α-bromoacetal of acetophenones were selectively obtained in excellent yields.

SUBSTITUTED PROPANAMIDES AS INHIBITORS OF NUCLEASES

-

Page/Page column 11; 12; 13; 32, (2019/11/12)

The invention provides compounds represented by the structural formula (1): wherein R1, R2, R3, R4, R5, R6 are as defined in the claims. The compounds are inhibitors of nucleases, and are useful in particular in a method of treatment and/or prevention of proliferative diseases, neurodegenerative diseases, and other genomic instability associated diseases.

SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF NUCLEASES

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Page/Page column 14; 66, (2019/11/12)

The invention provides compounds represented by the structural formula (1): wherein R1, R2, R3, R4, R5, R6 are as defined in the claims. The compounds are inhibitors of nucleases, and are useful in particular in a method of treatment and/or prevention of proliferative diseases, neurodegenerative diseases, and other genomic instability associated diseases.

Antibacterial synergist, preparation method and uses thereof

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Paragraph 0541; 0542; 0543; 0544, (2018/03/28)

The present invention relates to an antibacterial synergist, a preparation method and uses thereof, and specifically discloses a compound represented by a formula (I) and having antibacterial synergyactivity, or an optical isomer, a cis-trans isomer or a pharmaceutically acceptable salt thereof, and a preparation method thereof. The present invention further discloses a medical composition containing the compound, and uses thereof. According to the present invention, the compound can effectively enhance the antibacterial activity of polymyxin B against Acinetobacter baumannii and Klebsiella pneumoniae, and can be used for the antibacterial treatment of pathogenic bacteria insensitive to polymyxin or having low bacterial inhibition activity. The formula (I) is defined in the specification.

Studies on non-steroidal inhibitors of aromatase enzyme; 4-(aryl/heteroaryl)-2-(pyrimidin-2-yl)thiazole derivatives

Sahin, Zafer,Ertas, Merve,Berk, Bark?n,Biltekin, Sevde Nur,Yurttas, Leyla,Demirayak, Seref

, p. 1986 - 1995 (2018/03/12)

Steroidal and non-steroidal aromatase inhibitors target the suppression of estrogen biosynthesis in the treatment of breast cancer. Researchers have increasingly focused on developing non-steroidal derivatives for their potential clinical use avoiding steroidal side-effects. Non-steroidal derivatives generally have planar aromatic structures attached to the azole ring system. One part of this ring system comprises functional groups that inhibit aromatization through the coordination of the haem group of the aromatase enzyme. Replacement of the triazole ring system and development of aromatic/cyclic structures of the side chain can increase selectivity over aromatase enzyme inhibition. In this study, 4-(aryl/heteroaryl)-2-(pyrimidin-2-yl)thiazole derivatives were synthesized and physical analyses and structural determination studies were performed. The IC50 values were determined by a fluorescence-based aromatase inhibition assay and compound 1 (4-(2-hydroxyphenyl)-2-(pyrimidine-2-yl)thiazole) were found potent inhibitor of enzyme (IC50:0.42 nM). Then, their antiproliferative activity over MCF-7 and HEK-293 cell lines was evaluated using a 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) assay. Compounds 1, 7, 8, 13, 15, 18, 21 were active against MCF-7 breast cancer cells. Lastly, a series of docking experiments were undertaken to analyze the crystal structure of human placental aromatase and identify the possible interactions between the most active structure and the active site.

1,3-Dibromo-5,5-dimethylhydantoin mediated oxidative amidation of terminal alkenes in water

Ma, Chunhua,Fan, Guojie,Wu, Ping,Li, Zhi,Zhou, Yang,Ding, Qingjie,Zhang, Wei

, p. 9889 - 9894 (2017/12/12)

A variety of terminal alkenes were converted to the corresponding amides in yields of 25 to 86% in water via treatment with 1,3-dibromo-5,5-dimethylhydantoin, followed by reaction with molecular iodine and aq. NH3 (or amine) in one pot. This metal- and organic solvent-free protocol is not only suitable for styrene derivatives, but also, for the first time, works well on terminal aliphatic alkenes.

Fe(II) and Co (II) complexes of (4-(4-bromophenyl)-[2,2′-bipyridine]-6-carboxylic acid) synthesis, characterization and electrochromic studies

Saba,Basha, Fatima Zehra,Maqsood, Zahida Tariq,Wasim, Agha Arslan

, p. 35 - 42 (2017/04/10)

In this study novel complexes of substituted bipyridine (4-(4-bromophenyl)-[2,2′-bipyridine]-6-carboxylic acid) with Fe+2 and Co+2 were synthesized and characterized by different physical, analytical and spectral techniques which includes 1H-NMR, MALDI-MS, FTIR, UV-VIS Spectrophotometry, CHN analysis and conductometry. Mole ratio method revealed that both complexes satisfied ML2 stoichiometry. Other characterization studies showed that substituted bipyridine acted as a tridentate ligand, with two pyridine N and one carboxylic O atom as binding sites per ligand molecule. The complexes were found octahedral, neutral and possessed fairly high molar absorptivities in visible region. Electrochromic studies revealed that Fe (II) complex had relatively good electrochromic properties with a reversible color change from blue to pale yellow. Co (II) complex, however, did not show significant electrochromic properties in the visible region.

Citric Acid-catalyzed Synthesis of 2,4-Disubstituted Thiazoles from Ketones via C–Br, C–S, and C–N Bond Formations in One Pot: A Green Approach

Gundala, Trivikram Reddy,Godugu, Kumar,Nallagondu, Chinna Gangi Reddy

, p. 1408 - 1416 (2017/10/23)

An improved and greener protocol has been developed for the synthesis of 2,4-disubstituted thiazoles via C–Br, C–S, and, C–N bond formations in a single step from readily available ketones, N-bromosuccinimide (NBS), and thiourea catalyzed by citric acid in a mixture of ethanol and water (3:1) under reflux conditions. This method has the advantages of freedom from the isolation of lachrymatory α-bromoketones, ease of carrying out, cleaner reaction profile, broad substrate scope, freedom from chromatographic purification, and suitability for large-scale synthesis.

Substituted imidazole-1-vinyl compound and use thereof

-

Paragraph 0051; 0243-0246, (2016/10/27)

The invention relates to a substituted imidazole-1-ethylene compound as well as a preparation and an application thereof. The substituted imidazole-1-ethylene compound is a compound shown as a formula I, or salts thereof formed with medicinal acids or bases. According to the antifungal activity test performed on eight clinical fungi by the compound provided in the invention, a good fungus killing effect is achieved. The compound can serve as a novel broad-spectrum antifungal activity compound and is developed into antifungal medicines, disinfectants or feed additives.

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