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2,2,2-TRICHLORO-1-(4-CHLORO-1H-PYRROL-2-YL)ETHANONE is a chemical compound characterized by the presence of three chlorine atoms and a pyrrole ring. It is known for its strong and distinct odor and is utilized in the synthesis of various organic compounds. Its unique structure and properties make it a candidate for potential applications in the pharmaceutical and agrochemical industries.

72652-31-4

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72652-31-4 Usage

Uses

Used in Pharmaceutical Industry:
2,2,2-TRICHLORO-1-(4-CHLORO-1H-PYRROL-2-YL)ETHANONE is used as a synthetic intermediate for the development of pharmaceutical compounds. Its unique structure allows it to be a key component in the creation of new drugs with potential therapeutic benefits.
Used in Agrochemical Industry:
In the agrochemical industry, 2,2,2-TRICHLORO-1-(4-CHLORO-1H-PYRROL-2-YL)ETHANONE is used as a building block for the synthesis of agrochemicals. Its properties contribute to the development of effective pesticides and other agricultural chemicals that can enhance crop protection and yield.
Safety Note:
It is crucial to handle 2,2,2-TRICHLORO-1-(4-CHLORO-1H-PYRROL-2-YL)ETHANONE with care and adhere to proper safety procedures when working with it in a laboratory setting to ensure the safety of both individuals and the environment.

Check Digit Verification of cas no

The CAS Registry Mumber 72652-31-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,2,6,5 and 2 respectively; the second part has 2 digits, 3 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 72652-31:
(7*7)+(6*2)+(5*6)+(4*5)+(3*2)+(2*3)+(1*1)=124
124 % 10 = 4
So 72652-31-4 is a valid CAS Registry Number.
InChI:InChI=1/C6H3Cl4NO/c7-3-1-4(11-2-3)5(12)6(8,9)10/h1-2,11H

72652-31-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 2,2,2-Trichloro-1-(4-chloro-1H-pyrrol-2-yl)ethanone

1.2 Other means of identification

Product number -
Other names 2,2':6',2''-TERPYRIDINE-1,1''-DIOXIDE

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:72652-31-4 SDS

72652-31-4Relevant academic research and scientific papers

Synthesis and antibacterial analysis of analogues of the marine alkaloid pseudoceratidine

Barker, David,Lee, Stephanie,Varnava, Kyriakos G.,Sparrow, Kevin,van Rensburg, Michelle,Deed, Rebecca C.,Cadelis, Melissa M.,Li, Steven A.,Copp, Brent R.,Sarojini, Vijayalekshmi,Pilkington, Lisa I.

supporting information, (2020/07/02)

In an effort to gain more understanding on the structure activity relationship of pseudoceratidine 1, a di-bromo pyrrole spermidine alkaloid derived from the marine sponge Pseudoceratina purpurea that has been shown to exhibit potent biofouling, anti-fungal, antibacterial, and anti-malarial activities, a large series of 65 compounds that incorporated several aspects of structural variation has been synthesised through an efficient, divergent method that allowed for a number of analogues to be generated from common precursors. Subsequently, all analogues were assessed for their antibacterial activity against both Gram-positive (Staphylococcus aureus) and Gram-negative (Escherichia coli) bacteria. Overall, several compounds exhibited comparable or better activity than that of pseudoceratidine 1, and it was found that this class of compounds is generally more effective against Gram-positive than Gram-negative bacteria. Furthermore, altering several structural features allowed for the establishment of a comprehensive structure activity relationship (SAR), where it was concluded that several structural features are critical for potent anti-bacterial activity, including di-halogenation (preferable bromine, but chlorine is also effective) on the pyrrole ring, two pyrrolic units in the structure and with one or more secondary amines in the chain adjoining these units, with longer chains giving rise to better activities.

TRI-CYCLE COMPOUND AND APPLICATIONS THEREOF

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Paragraph 0123-0125, (2020/01/22)

Disclosed in the present invention are a compound represented by formula (I), a tautomer thereof or a pharmaceutically acceptable salt, and applications thereof in the preparation of drugs for treating HBV-related diseases.

NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF BACTERIAL INFECTIOUS DISEASES

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Paragraph 0291-0292, (2016/10/31)

Compounds are disclosed that have a formula represented by the following: wherein A, B, R1, R2 and R3 are as defined herein. Novel compounds of the invention may be prepared as a pharmaceutical composition, and may be useful in the treatment of infectious diseases, in particular bacterial infectious diseases. The compounds may be active against a specific enzyme in the bacterial DNA replicative process, DNA polymerase IIIE.

Story of an Age-Old Reagent: An Electrophilic Chlorination of Arenes and Heterocycles by 1-Chloro-1,2-benziodoxol-3-one

Wang, Mengzhou,Zhang, Yanyan,Wang, Tao,Wang, Chao,Xue, Dong,Xiao, Jianliang

supporting information, p. 1976 - 1979 (2016/06/01)

By the use of 1-chloro-1,2-benziodoxol-3-one, an age-old reagent, the practical and efficient chlorination method is achieved. This hypervalent iodine reagent is amenable not only to the chlorination of nitrogen-containing heterocycles but also to selected classes of arenes, BODIPY dyes, and pharmaceuticals. In addition, the advantages, such as easy preparation and recyclable, air- and moisture-stable, in combination with the success in a gram-scale experiment grant this reagent great potential for industrial application.

BRANIMYCIN DERIVATIVES AND THEIR USE FOR THE TREATMENT OF BACTERIAL INFECTIOUS DISEASES

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Paragraph 00212, (2015/03/16)

Compounds are disclosed that have a formula represented by Formula (I) wherein A, B, R1, R2 and R3 are as defined herein. Novel compounds of the invention may be prepared as a pharmaceutical composition, and may be useful in the treatment of infectious diseases, in particular bacterial infectious diseases. The compounds may be active against a specific enzyme in the bacterial DNA replicative process, DNA polymerase IIIE.

Selective Halogenation Using an Aniline Catalyst

Samanta, Ramesh C.,Yamamoto, Hisashi

supporting information, p. 11976 - 11979 (2015/08/18)

Electrophilic halogenation is used to produce a wide variety of halogenated compounds. Previously reported methods have been developed mainly using a reagent-based approach. Unfortunately, a suitable "catalytic" process for halogen transfer reactions has yet to be achieved. In this study, arylamines have been found to generate an N-halo arylamine intermediate, which acts as a highly reactive but selective catalytic electrophilic halogen source. A wide variety of heteroaromatic and aromatic compounds are halogenated using commercially available N-halosuccinimides, for example, NCS, NBS, and NIS, with good to excellent yields and with very high selectivity. In the case of unactivated double bonds, allylic chlorides are obtained under chlorination conditions, whereas bromocyclization occurs for polyolefin. The reactivity of the catalyst can be tuned by varying the electronic properties of the arene moiety of catalyst.

Palauchlor: A practical and reactive chlorinating reagent

Rodriguez, Rodrigo A.,Pan, Chung-Mao,Yabe, Yuki,Kawamata, Yu,Eastgate, Martin D.,Baran, Phil S.

supporting information, p. 6908 - 6911 (2014/06/09)

Unlike its other halogen atom siblings, the utility of chlorinated arenes and (hetero)arenes are twofold: they are useful in tuning electronic structure as well as acting as points for diversification via cross-coupling. Herein we report the invention of a new guanidine-based chlorinating reagent, CBMG or "Palauchlor", inspired by a key chlorospirocyclization en route to pyrrole imidazole alkaloids. This direct, mild, operationally simple, and safe chlorinating method is compatible with a range of nitrogen-containing heterocycles as well as select classes of arenes, conjugated π-systems, sulfonamides, and silyl enol ethers. Comparisons with other known chlorinating reagents revealed CBMG to be the premier reagent.

Production of anticancer polyenes through precursor-directed biosynthesis

Clark, Benjamin R.,O'Connor, Stephen,Fox, Deirdre,Leroy, Jacques,Murphy, Cormac D.

experimental part, p. 6306 - 6311 (2011/10/10)

The biosynthesis of the pyrrolyl moiety of the fungal metabolite rumbrin originates from pyrrole-2-carboxylic acid. In an effort to produce novel derivatives with enhanced biological activity a series of substituted pyrrole-2-carboxylates were synthesised

JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF

-

Page/Page column 167-168, (2010/04/03)

Provided herein are pyrrolotriazine compounds for treatment of JAK kinase, including JAK2 kinase mediated diseases. Also provided are pharmaceutical compositions comprising the compounds and methods of using the compounds and compositions.

Biosynthesis of pyrrolylpolyenes in Auxarthron umbrinum

Clark, Benjamin R.,Murphy, Cormac D.

experimental part, p. 111 - 116 (2009/04/11)

The biosynthesis of the pyrrolylpolyene rumbrin (1) in the fungus Auxarthron umbrinum was elucidated using feeding studies with labelled precursors. Incorporation of stable isotopes from [15N]-proline, [13C]-methionine and [13/

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