81028-92-4 Usage
Description
3-(3,5-Dichlorophenoxy)benzaldehyde is an organic compound characterized by the presence of a benzaldehyde moiety with a 3,5-dichlorophenoxy substituent. This chemical structure endows it with unique properties that make it valuable in various applications, particularly in the synthesis of other organic compounds.
Uses
Used in Organic Synthesis:
3-(3,5-Dichlorophenoxy)benzaldehyde is used as a key intermediate in the synthesis of various organic compounds, particularly in the production of 3-(3,5-dichlorophenoxy)-nitrostyrene (DPNS). This application is crucial for the development of new chemical entities with potential applications in various fields, such as pharmaceuticals, agrochemicals, or materials science.
In the specific case of DPNS, 3-(3,5-Dichlorophenoxy)benzaldehyde serves as a precursor, allowing for the creation of a nitro-styrene derivative that can be further modified or utilized in subsequent reactions. The synthesis of DPNS from 3-(3,5-Dichlorophenoxy)benzaldehyde involves a nitration process, which introduces a nitro group to the styrene moiety, thereby expanding the range of possible applications for the final product.
Check Digit Verification of cas no
The CAS Registry Mumber 81028-92-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,1,0,2 and 8 respectively; the second part has 2 digits, 9 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 81028-92:
(7*8)+(6*1)+(5*0)+(4*2)+(3*8)+(2*9)+(1*2)=114
114 % 10 = 4
So 81028-92-4 is a valid CAS Registry Number.
InChI:InChI=1/C13H8Cl2O2/c14-10-5-11(15)7-13(6-10)17-12-3-1-2-9(4-12)8-16/h1-8H
81028-92-4Relevant articles and documents
Structure-aided optimization of non-nucleoside M. tuberculosis thymidylate kinase inhibitors
Song, Lijun,Merceron, Romain,Hulpia, Fabian,Lucía, Ainhoa,Gracia, Bego?a,Jian, Yanlin,Risseeuw, Martijn D.P.,Verstraelen, Toon,Cos, Paul,Aínsa, José A.,Boshoff, Helena I.,Munier-Lehmann, Hélène,Savvides, Savvas N.,Van Calenbergh, Serge
, (2021/08/27)
Mycobacterium tuberculosis thymidylate kinase (MtTMPK) has emerged as an attractive target for rational drug design. We recently investigated new families of non-nucleoside MtTMPK inhibitors in an effort to diversify MtTMPK inhibitor chemical space. We here report a new series of MtTMPK inhibitors by combining the Topliss scheme with rational drug design approaches, fueled by two co-crystal structures of MtTMPK in complex with developed inhibitors. These efforts furnished the most potent MtTMPK inhibitors in our assay, with two analogues displaying low micromolar MIC values against H37Rv Mtb. Prepared inhibitors address new sub-sites in the MtTMPK nucleotide binding pocket, thereby offering new insights into its druggability. We studied the role of efflux pumps as well as the impact of cell wall permeabilizers for selected compounds to potentially provide an explanation for the lack of correlation between potent enzyme inhibition and whole-cell activity.