Month: December 2022

Kumar, Tulam Vijaya published the artcilePolyethylene glycol (PEG-400) as an efficient and recyclable reaction medium for one-pot synthesis of substituted pyrroles under catalyst-free conditions, Application In Synthesis of 4230-93-7, the publication is Asian Journal of Chemistry (2015), 27(4), 1457-1461, database is CAplus.

Polyethylene glycol (PEG 400) was found to be an effective non-toxic reaction medium for multicomponent synthesis of substituted pyrroles I [R¹ = Ph, benzyl, 3-FC₆H₄, etc.; R² = 2-Br, 3,4-(OMe)₂, H, etc.] via tandem Michael addition-cyclization of amines, nitrostyrenes and acetylacetone. Environmental acceptability, low cost, high yields and recyclability of polyethylene glycol were important advantages of this protocol.

Asian Journal of Chemistry published new progress about 4230-93-7. 4230-93-7 belongs to catalysis-chemistry, auxiliary class Alkenyl,Nitro Compound,Benzene,Ether, name is 1,2-Dimethoxy-4-(2-nitrovinyl)benzene, and the molecular formula is C10H11NO4, Application In Synthesis of 4230-93-7.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Bhaskararao, Munukoti published the artcileOne-pot ultrasonication assisted synthesis of biologically active 1,3,4-oxadiazole derivatives catalyzed by TiO₂ nanoparticles, COA of Formula: C8H8O2, the publication is Research Journal of Chemistry and Environment (2022), 26(5), 168-176, database is CAplus.

A novel approach was adopted in the one-pot synthesis of 2-phenyl-5-aryl substituted-1,3,4-oxadiazole derivatives I (R = Ph, 3-methylphenyl, 2-naphthyl, etc.) through ultrasonication. Substituted carboxylic acids RCOOH underwent condensation with benzohydrazide in the presence of ortho-(benzotriazol-1-yl)-N,N,N’,N’-tetramethyluronium tetrafluoroborate (TBTU) to form diacylhydrazine derivatives PhC(O)NHNH(O)R. In the next step, the diacylhydrazine derivatives were subjected to cyclodehydration in the presence of titanium dioxide (TiO₂) nanoparticles (NPs) in the presence of dichloromethane (DCM) solvent, at room temperature through which excellent pure yields of substituted 1,3,4-oxadiazoles I were obtained. The reaction scheme was also performed with other metal oxides NPs (CuO, ZnO, NiO) and the results have shown that TiO₂ NPs were most effective in forming the best yields of the derivatives Their biol. applicability was investigated by conducting anti-bacterial studies against gram-neg. Escherichia coli and gram-pos. Staphylococcus aurues. In these studies, almost majority of the derivatives have shown pos. results in deactivating the micro-organisms.

Research Journal of Chemistry and Environment published new progress about 118-90-1. 118-90-1 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Natural product, name is 2-Methylbenzoic acid, and the molecular formula is C8H8O2, COA of Formula: C8H8O2.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Ghafari, Shahrzad published the artcileNovel morpholine containing cinnamoyl amides as potent tyrosinase inhibitors, Synthetic Route of 1772-76-5, the publication is International Journal of Biological Macromolecules (2019), 978-985, database is CAplus and MEDLINE.

Tyrosinase enzyme plays a crucial role in melanin biosynthesis and enzymic browning process of vegetables and fruits. Hence, tyrosinase inhibitors are important in the fields of medicine, cosmetics and agriculture. In this study, novel N-(2-morpholinoethyl)cinnamamide derivatives bearing different substituents on Ph ring were designed, synthesized and evaluated for their tyrosinase diphenolase inhibitory activity. The compounds were found to be better tyrosinase inhibitors (IC₅₀s were in micro molar range) than cinnamic acid. (E)-3-(3-chlorophenyl)-N-(2-morpholinoethyl)acrylamide (B6) exhibited the highest inhibition with IC₅₀ value of 15.2 ¡À 0.6¦ÌM which was comparable to that of kojic acid. The inhibition kinetic anal. of B6 indicated that the compound was a mixed-type tyrosinase inhibitor. In silico ADME prediction indicated that B6 might show more skin penetration than kojic acid. Mol. docking anal. confirmed that the active inhibitors well accommodated in the mushroom tyrosinase active site and it was also revealed that B6 formed the most stable drug-receptor complex with the target protein. Therefore, cinnamamide B6 could be introduced as a potent tyrosinase inhibitor that might be a promising lead in cosmetics, medicine and food industry.

International Journal of Biological Macromolecules published new progress about 1772-76-5. 1772-76-5 belongs to catalysis-chemistry, auxiliary class Benzenes, name is (E)-3-(3-Nitrophenyl)acrylic acid, and the molecular formula is C9H7NO4, Synthetic Route of 1772-76-5.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Lin, Qing-Yu published the artcilePhotoredox-Catalyzed Bromodifluoromethylation of Alkenes with (Difluoromethyl)triphenylphosphonium Bromide, Formula: C15H15OP, the publication is Organic Letters (2016), 18(10), 2419-2422, database is CAplus and MEDLINE.

Under visible-light photoredox conditions, difluoromethyltriphenylphosphonium bromide was used as the precursor of the CF₂H radical for bromodifluoromethylation of alkenes. The presence of catalytic CuBr₂ resulted in the selective formation of the bromodifluoromethylated products. Also, the alkenes underwent bromodifluoromethylation followed by dehydrobromination to give the difluoromethylated alkenes in good yields.

Organic Letters published new progress about 4141-48-4. 4141-48-4 belongs to catalysis-chemistry, auxiliary class Aryl phosphine ligand,Mono-phosphine Ligands, name is Allyldiphenylphosphine oxide, and the molecular formula is C15H15OP, Formula: C15H15OP.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Angapelly, Srinivas published the artcileDevelopment of sulfonamides incorporating phenylacrylamido functionalities as carbonic anhydrase isoforms I, II, IX and XII inhibitors, Formula: C11H12O4, the publication is Bioorganic & Medicinal Chemistry (2017), 25(20), 5726-5732, database is CAplus and MEDLINE.

A series of novel sulfonamides incorporating phenylacrylamido functionalities were synthesized and investigated for the inhibition of the metalloenzyme carbonic anhydrase (CA, EC 4.2.1.1). The physiol. and pharmacol. relevant human (h) isoforms hCA I and II (cytosolic isoenzymes), as well as the transmembrane tumor-associated hCA IX and XII were included in the study. These compounds showed low nanomolar or sub-nanomolar inhibition constants against hCA II (K_Is in the range of 0.50-50.5 nM), hCA IX (K_Is of 1.8-228.5 nM), and hCA XII (K_Is of 3.5-96.2 nM) being less effective as inhibitors of the off target isoform hCA I. A detailed structure-activity relationship study demonstrates that the nature and position of substituents present on the aromatic part of the scaffold strongly influence the inhibition of CA isoforms. As hCA II, IX and XII are involved in pathologies such as glaucoma and hypoxic, and metastatic tumors, compounds of the type reported may be useful preclin. candidates.

Bioorganic & Medicinal Chemistry published new progress about 16909-09-4. 16909-09-4 belongs to catalysis-chemistry, auxiliary class Alkenyl,Carboxylic acid,Benzene,Ether, name is (E)-3-(2,4-Dimethoxyphenyl)acrylic acid, and the molecular formula is C11H12O4, Formula: C11H12O4.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Ranganatha, V. Lakshmi published the artcileSynthesis, characterization, and antimicrobial analysis of 5-phenyl-4-((2-(piperazin-1-yl)ethyl)thio)-1,2,3-oxadiazole analogs through in-vitro and in-silico approach, Application In Synthesis of 118-90-1, the publication is Journal of Molecular Structure (2022), 132168, database is CAplus.

A sequence of novel 1,2,3-oxadiazole derivatives I [R¹ = H, Cl, Br etc; R² = H, methoxy, Br etc; R³ = H, CH₃, Br, etc.] having 2-[(piperazin-1-yl)ethyl]thio moiety were synthesized by multistep synthesis. The newly synthesized compounds I were well characterized and their antimicrobial activities were carried out by disk diffusion and broth dilution methods. Further, among the series of compounds I, compound I [R¹ = R² = H; R ³= Cl] demonstrated a good inhibition against all the tested strains. Also, in-silico analyses including mol. docking simulations, mol. dynamics simulations and binding free energy calculations predicted that the compound I [R¹= R² = H; R³ = Cl] was an extensive and stable interaction with the target proteins. In addition, ADMET anal. also predicted that I [R¹ = R² = H; R³ = Cl] demonstrated no toxicity and carcinogenicity. This makes I [R¹= R² = H; R³ = Cl] one of the potent antimicrobial agents which can be used as a potential drug in the near future.

Journal of Molecular Structure published new progress about 118-90-1. 118-90-1 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Natural product, name is 2-Methylbenzoic acid, and the molecular formula is C8H8O2, Application In Synthesis of 118-90-1.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Veinot, Alex J. published the artcileCrystal structure of bis(2,4,6-trimethylphenyl)phosphine oxide, Name: Dimesitylphosphine oxide, the publication is Molbank (2017), M957/1-M957/5, database is CAplus.

The single crystal structure of bis(2,4,6-trimethylphenyl)phosphine oxide has been determined All interat. distances and angles can be considered normal. The aryl substituents adopt an intermediate configuration when compared to both sterically unhindered (e.g., diphenylphosphine oxide) and congested (e.g., bis(2,4,6-tri-tert-butylphenyl)phosphine oxide) secondary phosphine oxides, illustrating the influence of steric congestion on the mol. structure.

Molbank published new progress about 23897-16-7. 23897-16-7 belongs to catalysis-chemistry, auxiliary class Aryl phosphine ligand,Mono-phosphine Ligands, name is Dimesitylphosphine oxide, and the molecular formula is C15H12O8, Name: Dimesitylphosphine oxide.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Joseph, Roymon published the artcileLower Rim 1,3-Di{bis(2-picolyl)}amide Derivative of Calix[4]arene (L) as Ratiometric Primary Sensor toward Ag⁺ and the Complex of Ag⁺ as Secondary Sensor toward Cys: Experimental, Computational, and Microscopy Studies and INHIBIT Logic Gate Properties of L, Category: catalysis-chemistry, the publication is Journal of Organic Chemistry (2009), 74(21), 8181-8190, database is CAplus and MEDLINE.

A structurally characterized lower rim 1,3-di{bis(2-picolyl)}amide derivative of calix[4]arene (L) exhibits high selectivity toward Ag⁺ by forming a 1:1 complex, among nine other biol. important metal ions, viz., Na⁺, K⁺, Mg²⁺, Ca²⁺, Mn²⁺, Fe²⁺, Co²⁺, Ni²⁺, and Zn²⁺, as studied by fluorescence, absorption, and ¹H NMR spectroscopy. The 1:1 complex formed between L and Ag⁺ was further proven from ESI mass spectrometry and has an association constant, K_a, of 11117 ¡À 190 M^-1 based on fluorescence data. L acts as a primary ratiometric sensor toward Ag⁺ by switch-on fluorescence and exhibits a lowest detectable concentration of 450 ppb. DFT computational studies carried out in mimicking the formation of a 1:1 complex between L and Ag⁺ resulted in a tetrahedral complex wherein the nitrogens of all four pyridyl moieties present on both arms are being coordinated. Whereas these pyridyls are located farther apart in the crystal structure, appropriate dihedral changes are induced in the arms in the presence of silver ion to form a coordination complex. Even the nanostructural features obtained in TEM clearly differentiates L from its Ag⁺ complex. The in situ prepared silver complex of L detects Cys ratiometrically among the naturally occurring amino acids to a lowest concentration of 514 ppb by releasing L from the complex followed by formation of the cysteine complex of Ag⁺. These were demonstrated from emission, absorption, ¹H NMR, and ESI mass spectra. The INH logic gate also was generated by choosing Ag⁺ and Cys as input and by monitoring the output signal at 445 nm that originates from the excimer emission of L in the presence of Ag⁺. Thus L is a potential primary sensor toward Ag⁺ and is a secondary sensor toward Cys.

Journal of Organic Chemistry published new progress about 1798-04-5. 1798-04-5 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Ether, name is 2-(4-(tert-Butyl)phenoxy)acetic acid, and the molecular formula is C12H16O3, Category: catalysis-chemistry.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Joseph, Roymon published the artcileExperimental and Computational Studies of Selective Recognition of Hg²⁺ by Amide Linked Lower Rim 1,3-Dibenzimidazole Derivative of Calix[4]arene: Species Characterization in Solution and that in the Isolated Complex, Including the Delineation of the Nanostructures, Category: catalysis-chemistry, the publication is Journal of Organic Chemistry (2008), 73(15), 5745-5758, database is CAplus and MEDLINE.

Amide linked lower rim 1,3-dibenzimidazole derivative of calix[4]arene, L has been shown to be sensitive and selective to Hg²⁺ in aqueous acetonitrile solution based on fluorescence spectroscopy, and the stoichiometry of the complexed species has been found to be 1:1. The selectivity of L toward Hg²⁺ has been shown among 11 M²⁺ ions, viz., Mn²⁺, Fe²⁺, Co²⁺, Ni²⁺, Cu²⁺, Zn²⁺, Cd²⁺, Hg²⁺, Pb²⁺, Ca²⁺, and Mg²⁺ studied, including those of the mercury group and none of these ions impede the recognition of Hg²⁺ by L. Role of the solvent on the recognition of Hg²⁺ has been demonstrated. The role of calix[4]arene platform and the benzimidazole moieties in the recognition of Hg²⁺ by L has been delineated upon performing such studies with five different mols. of relevance as reference mol. systems. The binding cores formed by the receptor L and the reference compounds have been established based on the single crystal XRD structures, and the preferential metal ion binding cores have been discussed. The binding of Hg²⁺ with L has been further established based on ¹H and ¹³C NMR, ESI MS, absorption, and fluorescence lifetime measurements. Some of these techniques have been used to establish the stoichiometry of the species formed. The complex species formed between L and Hg²⁺ have been isolated and characterized and found to be 1:1 species even in the isolated complex. Whereas transmission electron microscopy (TEM), at. force microscopy (AFM), and SEM provided the nanostructural behavior of L, the TEM and SEM demonstrated that the mercury complex has different characteristics when compared to L. The TEM, SEM, and powder XRD studies revealed that whereas L is crystalline, that of the mercury complex is not, perhaps a reason for not being able to obtain single crystals of the complex. Binding characteristics of Hg²⁺ toward L have been established based on the DFT computational calculations

Journal of Organic Chemistry published new progress about 1798-04-5. 1798-04-5 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Ether, name is 2-(4-(tert-Butyl)phenoxy)acetic acid, and the molecular formula is C12H16O3, Category: catalysis-chemistry.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Acharya, Amitabha published the artcile1,3-diamido-calix[4]arene conjugates of amino acids: recognition of -COOH side chain present in amino acids, peptides, and proteins by experimental and computational studies, Computed Properties of 1798-04-5, the publication is Journal of Organic Chemistry (2011), 76(1), 127-137, database is CAplus and MEDLINE.

Lower rim 1,3-diamido conjugates of calix[4]arene have been synthesized and characterized, and the structures of some of these have been established by single crystal XRD. The amido-calix conjugates possessing a terminal -COOH moiety have been shown to exhibit recognition toward guest mols. possessing -COOH moiety, viz., Asp, Glu, and reduced and oxidized glutathione (GSH, GSSG), by switch-on fluorescence in aqueous acetonitrile and methanol solutions when compared to the control mols. via forming a 1:1 complex. The complex formed has been shown by mass spectrometry, and the structural features of the complexes were derived on the basis of DFT computations. The association constants observed for the recognition of Asp/Glu by Phe-calix conjugate, viz., 532/676 M^-1, are higher than that reported for the recognition of Val, Leu, Phe, His, and Trp (16-63 M^-1) by a water-soluble calixarene (Arena, G., et al. Tetrahedron Lett. 1999, 40, 1597). For this recognition, there should be a free -COOH moiety from the guest mol. AFM, SEM, and DLS data exhibited spherical particles with a hundred-fold reduction in the size of the complexes when compared to the particles of the precursors. These spherical particles have been computationally modeled to possess hexameric species reminiscent of the hexameric micellar structures shown for a Ag⁺ complex of a calix[6]arene reported in the literature (Houmadi, S., et al. Langmuir 2007, 23, 4849). Both AFM and TEM studies demonstrated the formation of nanospheres in the case of GSH-capped Ag nanoparticles in interaction with the amido-calix conjugate that possesses terminal -COOH moiety. The AFM studies demonstrated in this paper have been very well applied to albumin proteins to differentiate the aggregational behavior and nanostructural features exhibited by the complexes of proteins from those of the uncomplexed ones. To the authors’ knowledge, this is the first report wherein a amido-calix[4]arene conjugate and its amino acid/peptide/protein complexes have been differentiated on the basis of spectroscopy and microscopy studies followed by species modeling by computations.

Journal of Organic Chemistry published new progress about 1798-04-5. 1798-04-5 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Ether, name is 2-(4-(tert-Butyl)phenoxy)acetic acid, and the molecular formula is C12H16O3, Computed Properties of 1798-04-5.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia