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1-(3,4-DIBROMO-2-THIENYL)-1-ETHANONE is a chemical compound characterized by the molecular formula C6H4Br2OS. It is an organic compound that features a thiophene ring with two bromine atoms attached and a ketone group. 1-(3,4-DIBROMO-2-THIENYL)-1-ETHANONE is known for its role in the synthesis of pharmaceuticals and agrochemicals, as well as serving as an intermediate in the production of other organic compounds. It has also garnered interest due to its potential biological and pharmacological properties. However, caution is advised in handling this chemical, as it may present risks to both human health and the environment.

57681-57-9

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57681-57-9 Usage

Uses

Used in Pharmaceutical Industry:
1-(3,4-DIBROMO-2-THIENYL)-1-ETHANONE is used as a key intermediate in the synthesis of various pharmaceuticals for its ability to contribute to the development of new drugs with potential therapeutic applications.
Used in Agrochemical Industry:
In the agrochemical sector, 1-(3,4-DIBROMO-2-THIENYL)-1-ETHANONE is utilized as a component in the creation of agrochemicals, which are essential for enhancing crop protection and yield.
Used in Organic Synthesis:
1-(3,4-DIBROMO-2-THIENYL)-1-ETHANONE serves as an intermediate in organic synthesis, playing a crucial role in the production of other organic compounds that have a wide range of applications across different industries.
Used in Research and Development:
1-(3,4-DIBROMO-2-THIENYL)-1-ETHANONE is also used in research and development settings to explore its biological and pharmacological properties, potentially leading to new discoveries and applications in medicine and other fields.

Check Digit Verification of cas no

The CAS Registry Mumber 57681-57-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,7,6,8 and 1 respectively; the second part has 2 digits, 5 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 57681-57:
(7*5)+(6*7)+(5*6)+(4*8)+(3*1)+(2*5)+(1*7)=159
159 % 10 = 9
So 57681-57-9 is a valid CAS Registry Number.
InChI:InChI=1/C6H4Br2OS/c1-3(9)6-5(8)4(7)2-10-6/h2H,1H3

57681-57-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-(3,4-dibromothiophen-2-yl)ethanone

1.2 Other means of identification

Product number -
Other names 1-(3,4-Dibrom-[2]thienyl)-aethanon

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:57681-57-9 SDS

57681-57-9Downstream Products

57681-57-9Relevant academic research and scientific papers

Synthesis and structure of alkyl-substituted fused thiophenes containing up to seven rings

He, Mingqian,Zhang, Feixia

, p. 442 - 451 (2007)

We have established a series of synthetic methods to synthesize alkyl-substituted fused thiophenes with degrees of fusion from two to seven rings. These fused thiophene ring compounds have very good solubility in common organic solvents, making possible the solution processing of these compounds for electronic applications. The UV absorption of these fused thiophenes is blue-shifted when compared with their hydrocarbon counterparts. The larger band gaps result in much better stability. Single-crystal X-ray results for 3,6-didecanyldithieno[2,3-d:2′,3′-d′]thieno[3,2-b:4, 5-b″]dithiophene (FT5) and 3,7-didecanylthieno-[3,2-b]thieno[2′, 3′:4,5]thieno[2,3-d]thiophene (FT4) demonstrate that both compounds form π-stacking structures instead of a herringbone-type of packing motif. This more favorable π-stacked structure may lead to better material electronic properties such as mobility in devices fabricated with these compounds.

NOVEL COMPOUNDS HAVING INHIBITORY ACTIVITY ON PROSTAGLANDIN E2 RECEPTOR AND USES THEREOF

-

Paragraph 392-395, (2022/03/07)

The present application relates to a novel compound having inhibitory activity on prostaglandin E2 receptor and uses thereof, and provides a compound represented by formula I, a solvate, stereoisomer or pharmaceutically acceptable salt thereof, a pharmaceutical composition comprising the same, and a method of using the same.

Pyrazoles: 'one-pot' synthesis from arenes and carboxylic acids

Gong, Ming,Kim, Jung Keun,Kovalev, Vladimir V.,Kovaleva, Olga V.,Shokova, Elvira A.,Tafeenko, Viktor A.,Wu, Yangjie

supporting information, p. 5625 - 5638 (2020/08/21)

A rapid and efficient method for 'one-pot' synthesis of pyrazoles from (hetero)arenes and carboxylic acids via successive formation of ketones and β-diketones followed by heterocyclization with hydrazine has been developed. The utility of the RCOOH/TfOH/TFAA acylation system for intermediate production of ketones and 1,3-diketones is a key feature of this approach. The preliminary evaluation of the anticancer activity of the synthesized pyrazoles is performed.

Thieno[3,2-b]thiophene-2-carboxylic acid derivatives as GPR35 agonists

Deng, Huayun,Hu, Jieyu,Hu, Haibei,He, Mingqian,Fang, Ye

scheme or table, p. 4148 - 4152 (2012/07/03)

The optimization of a series of thieno[3,2-b]thiophene-2-carboxylic acid derivatives for agonist activity against the GPR35 is reported. Compounds were optimized to achieve β-arrestin-biased agonism for developing probe molecules that may be useful for elucidating the biology and physiology of GPR35. Compound 13 was identified to the most potent GPR35 agonist, and compounds 30 and 36 exhibited the highest efficacy to cause β-arrestin translocation.

COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL CONDITION(S) RELATED TO GPR35 AND/OR GPR35-HERG COMPLEX

-

Page/Page column 56, (2012/02/03)

Disclosed are compositions and methods for the prevention and/or treatment of diseases which are pathophysiologically related to GPR35, and/or GPR35-hERG signaling complex. For example, disclosed are compounds for preventing and/or treating diseases which are pathophysiologically related to GPR35 in a subject. The compounds having a formula (I), (II) or (III):

Discovery of 2-(4-Methylfuran-2(5 H)-ylidene)malononitrile and thieno[3,2-b ]thiophene-2-carboxylic acid derivatives as G protein-coupled receptor 35 (GPR35) agonists

Deng, Huayun,Hu, Haibei,He, Mingqian,Hu, Jieyu,Niu, Weijun,Ferrie, Ann M.,Fang, Ye

experimental part, p. 7385 - 7396 (2011/12/04)

Screening with dynamic mass redistribution (DMR) assays in a native cell line HT-29 led to identification of two novel series of chemical compounds, 2-(4-methylfuran-2(5H)-ylidene)malononitrile and thieno[3,2-b]thiophene-2- carboxylic acid derivatives, as GPR35 agonists. Of these, 2-(3-cyano-5-(3,4- dichlorophenyl)-4,5-dimethylfuran-2(5H)-ylidene)malononitrile (YE120) and 6-bromo-3-methylthieno[3,2-b]thiophene-2-carboxylic acid (YE210) were found to be the two most potent GPR35 agonists with an EC50 of 32.5 ±1.7 nM and 63.7 ±4.1 nM, respectively. Both agonists exhibited better potency than that of zaprinast, a known GPR35 agonist. DMR antagonist assays, knockdown of GPR35 with interference RNA, receptor internalization assays, and Tango β-arrestin translocation assays confirmed that the agonist activity of these ligands is specific to GPR35. The present study provides novel chemical series as a starting point for further investigations of GPR35 biology and pharmacology.

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