Chloride substituents modify the physical properties of organic compounds in several ways. 6334-18-5, formula is C7H4Cl2O, Name is 2,3-Dichlorobenzaldehyde. They are typically denser than water due to the presence of chlorine, which has a high atomic weight. Electric Literature of 6334-18-5.
Kumar, Achutha Dileep;Vivek, Hamse Kameshwar;Srinivasan, Bharath;Naveen, Shivalingegowda;Kumara, Karthik;Lokanath, Neratur Krishnappagowda;Byrappa, Kullaiah;Kumar, Kariyappa Ajay research published ã?Design, synthesis, characterization, crystal structure, Hirshfeld surface analysis, DFT calculations, anticancer, angiogenic properties of new pyrazole carboxamide derivativesã? the research content is summarized as follows. The present study demonstrated the utility of a reverse ligand similarity based approach to identify potential targets for a new series of pyrazole carboxamides I [R = H, R1 = H, methoxy, etc.; R2 = H, Me, fluoro, etc.] that showed a potent anticancer activities against MCF-7 cells compared to other structurally related mols. and controls. Mol. docking studies revealed that the compound I [R = R1 = H, R2 = fluoro] interacted very strongly with human estrogen receptor with docking score of -8.82kcal/mol. In case of hERα-LBD, it interacted very well via hydrogen bond with Thr347 with docking score of -8.19 kcal/mol and very good binding with Asp351 via both hydrogen bonding and salt bridge. These results indicated that compound I [R = R1 = H, R2 = fluoro] acted as better inhibitor for estrogen receptors comparable with the standard inhibitor tamoxifen. Further, ADMET studies revealed that pyrazole carboxamides I [R = H, R1 = H, methoxy, etc.; R2 = H, Me, fluoro, etc.] had good ADME properties as compared with the data from 95% of drugs readily available in the market. The pyrazole carboxamides I [R = H, R1 = H, methoxy, etc.; R2 = H, Me, fluoro, etc.] possessed three dimensional supramol. self-assembly, in which N-H···O bonds connected the mols. and build up two dimensional arrays, which were extended to 3D network through C-H···Cg and C-Cl···Cg interactions. The structure also exhibited ÏÂ·Â·Â·Ï stacking interactions, which contributed to the crystal packing. The Hirshfeld surface anal. was carried out to quantify the intermol. interactions involved in the crystalline environment. The mol. geometry of the compound I [R = H, R1 = methoxy, R2 = H] by DFT method with B3LYP hybrid functional and 6-311+G(d,p) basis set. The optimized structure was in good agreement with the exptl. findings. The electrostatic potential map was plotted to understand the energy distribution and chem. reactive regions of the mol.
Electric Literature of 6334-18-5, 2,3-Dichlorobenzaldehyde(2,3-DBA)is a useful research compound. Its molecular formula is C7H4Cl2O and its molecular weight is 175.01 g/mol. The purity is usually 95%.
2,3-DBA is an organic compound that is used as a synthetic intermediate in the preparation of other chemicals. It is prepared by reacting 2-chloroacetophenone with hydrochloric acid and sodium carbonate in a reaction vessel. The product can be purified through fractional distillation or crystallization. The optical properties of 2,3-DBA are determined by its dipole moment and the substituents attached to the methylene group. Molecular modeling studies have shown that felodipine can bind to 2,3-DBA through its active methylene group. The reaction products between sulfadiazine and 2,3-DBA are pyridinedicarboxylic acid and 3-chlorobenzaldehyde.
2,3-DBA is part of a group of Benzaldehyde (B119740) derivatives that exhibit activity against Mycobacterium tuberculosis, the bacteria responsible for causing tuberculosis in humans. 2,3-DBA is also used as a reagent to synthesize (E)-2-(2-arylhydrazinyl)quinoxalines, compounds that have potent anticancer activity., 6334-18-5.
Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics