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1-(5-Bromothiophen-3-yl)ethanone is a chemical compound characterized by its molecular formula C8H7BrOS. It presents as a yellow to brown liquid with a distinctive strong, pungent odor. 1-(5-Bromothiophen-3-yl)ethanone is recognized for its role as an intermediate in the synthesis of various products, particularly in the pharmaceutical and agrochemical industries, as well as in the production of organic compounds and as a reagent in chemical reactions.

59227-67-7

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59227-67-7 Usage

Uses

Used in Pharmaceutical Industry:
1-(5-Bromothiophen-3-yl)ethanone serves as an intermediate in the synthesis of pharmaceuticals, contributing to the development of new drugs and medicinal compounds. Its unique chemical structure allows it to be a key component in creating molecules with specific therapeutic properties.
Used in Agrochemical Industry:
Similarly, in the agrochemical sector, 1-(5-Bromothiophen-3-yl)ethanone is utilized as an intermediate for the synthesis of agrochemicals, which are essential for crop protection and enhancement of agricultural productivity.
Used in Organic Compound Production:
1-(5-Bromothiophen-3-yl)ethanone is also employed in the production of organic compounds, where its distinctive chemical properties are leveraged to create a variety of organic molecules for different applications.
Used as a Reagent in Chemical Reactions:
Furthermore, 1-(5-Bromothiophen-3-yl)ethanone functions as a reagent in various chemical reactions, facilitating specific transformations and processes that are crucial in the synthesis of target molecules.
Safety Considerations:

Check Digit Verification of cas no

The CAS Registry Mumber 59227-67-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,9,2,2 and 7 respectively; the second part has 2 digits, 6 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 59227-67:
(7*5)+(6*9)+(5*2)+(4*2)+(3*7)+(2*6)+(1*7)=147
147 % 10 = 7
So 59227-67-7 is a valid CAS Registry Number.
InChI:InChI=1/C6H5BrOS/c1-4(8)5-2-6(7)9-3-5/h2-3H,1H3

59227-67-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-(5-Bromothiophen-3-yl)ethanone

1.2 Other means of identification

Product number -
Other names 2-bromo-4-acetylthiophene

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:59227-67-7 SDS

59227-67-7Relevant academic research and scientific papers

Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents

-

Page/Page column 296, (2015/11/16)

The present invention is directed to inhibitors of S-nitrosoglutathione reductase (GSNOR), pharmaceutical compositions comprising such GSNOR inhibitors, and methods of making and using the same.

COMPOUNDS FOR THE TREATMENT OF PARAMOXYVIRUS VIRAL INFECTIONS

-

Paragraph 0546, (2014/03/25)

Disclosed herein are new antiviral compounds, together with pharmaceutical compositions that include one or more antiviral compounds, and methods of synthesizing the same. Also disclosed herein are methods of ameliorating and/or treating a paramyxovirus viral infection with one or more small molecule compounds. Examples of paramyxovirus infection include an infection caused by human respiratory syncytial virus (RSV).

Discovery of an orally available, brain penetrant BACE1 inhibitor that affords robust CNS Aβ reduction

Stamford, Andrew W.,Scott, Jack D.,Li, Sarah W.,Babu, Suresh,Tadesse, Dawit,Hunter, Rachael,Wu, Yusheng,Misiaszek, Jeffrey,Cumming, Jared N.,Gilbert, Eric J.,Huang, Chunli,McKittrick, Brian A.,Hong, Liwu,Guo, Tao,Zhu, Zhaoning,Strickland, Corey,Orth, Peter,Voigt, Johannes H.,Kennedy, Matthew E.,Chen, Xia,Kuvelkar, Reshma,Hodgson, Robert,Hyde, Lynn A.,Cox, Kathleen,Favreau, Leonard,Parker, Eric M.,Greenlee, William J.

supporting information, p. 897 - 902 (2013/01/15)

Inhibition of BACE1 to prevent brain Aβ peptide formation is a potential disease-modifying approach to the treatment of Alzheimer's disease. Despite over a decade of drug discovery efforts, the identification of brain-penetrant BACE1 inhibitors that substantially lower CNS Aβ levels following systemic administration remains challenging. In this report we describe structure-based optimization of a series of brain-penetrant BACE1 inhibitors derived from an iminopyrimidinone scaffold. Application of structure-based design in tandem with control of physicochemical properties culminated in the discovery of compound 16, which potently reduced cortex and CSF Aβ40 levels when administered orally to rats.

Discovery of potent and novel S-nitrosoglutathione reductase inhibitors devoid of cytochrome P450 activities

Sun, Xicheng,Qiu, Jian,Strong, Sarah A.,Green, Louis S.,Wasley, Jan W.F.,Blonder, Joan P.,Colagiovanni, Dorothy B.,Mutka, Sarah C.,Stout, Adam M.,Richards, Jane P.,Rosenthal, Gary J.

supporting information; experimental part, p. 5849 - 5853 (2011/10/19)

The pyrrole based N6022 was recently identified as a potent, selective, reversible, and efficacious S-nitrosoglutathione reductase (GSNOR) inhibitor and is currently undergoing clinical development for the treatment of acute asthma. GSNOR is a member of the alcohol dehydrogenase family (ADH) and regulates the levels of S-nitrosothiols (SNOs) through catabolism of S-nitrosoglutathione (GSNO). Reduced levels of GSNO, as well as other nitrosothiols (SNOs), have been implicated in the pathogenesis of many diseases including those of the respiratory, cardiovascular, and gastrointestinal systems. Preservation of endogenous SNOs through GSNOR inhibition presents a novel therapeutic approach with broad applicability. We describe here the synthesis and structure-activity relationships (SAR) of novel pyrrole based analogues of N6022 focusing on removal of cytochrome P450 inhibition activities. We identified potent and novel GSNOR inhibitors having reduced CYP inhibition activities and demonstrated efficacy in a mouse ovalbumin (OVA) model of asthma.

Antibacterial agents

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, (2008/06/13)

The present invention provides compounds of formula (I): wherein R1-R6 and J and K have any of the values defined in the specification, and pharmaceutically acceptable salt thereof, that are useful as antibacterial agents. Also disclosed are pharmaceutical compositions comprising one or more compounds of formula I, processes for preparing compounds of formula I, and intermediates useful for preparing compounds of formula I.

Charge Density - Activation Energy Correlations in Bromination of Thiophenes by N-Bromosuccinimide in Solution

Rajaraman, Lalitha,Nanjan, M. J.

, p. 538 - 539 (2007/10/02)

The activation energies for N-bromosuccinimide bromination of several thiophene derivatives in 80percent (v/v) aqueous acetic acid have been determined and discussed in the light of electron densities at the reaction site.The effect of substituents at different positions of thiophene ring has been investigated quantitatively by the actual calculation of total (? + ?) charge densities at various positions of the substituted thiophenes.

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