Month: December 2022

De Pascale, G. published the artcileValidation for high-throughput screening of a VanRS-based reporter gene assay for bacterial cell wall inhibitors, Application of N-Benzyl-N,N-dibutylbutan-1-aminium chloride, the publication is Journal of Applied Microbiology (2007), 103(1), 133-140, database is CAplus and MEDLINE.

The present study was undertaken to validate, for antibiotic discovery, a reporter gene assay based on a Bacillus subtilis strain expressing the Enterococcus faecium vanRS genes and a vanH-lacZ fusion, which produced β-galactosidase activity in the presence of cell wall inhibitors (CWI) and lysozyme. The reporter assay was miniaturized, automated and validated with antibiotics and tested against portions of chem. and microbial extract libraries. The assay is simple, fast and reproducible and can detect all CWI, sometimes at concentrations lower than those necessary to inhibit bacterial growth. However, some membrane-interfering compounds also generate comparable signals. While most CWI elicit a signal that is transcription-dependent and abolished in an osmoprotective medium, transcription is not required for β-galactosidase activity brought about by the membrane-interfering compounds At least two distinct mechanisms appear to lead to enzymic activity in the reporter strain. Effective counterscreens can be designed to discard the undesired classes of compounds Extensive validation is required before introducing a reporter assay in high-throughput screening. However, the ease of operation and manipulation makes the reporter assays powerful tools for antibiotic discovery.

Journal of Applied Microbiology published new progress about 23616-79-7. 23616-79-7 belongs to chlorides-buliding-blocks, auxiliary class Phase Transfer Catalyst, name is N-Benzyl-N,N-dibutylbutan-1-aminium chloride, and the molecular formula is C19H34ClN, Application of N-Benzyl-N,N-dibutylbutan-1-aminium chloride.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Buendia, Julien published the artcileThe Multiple Facets of Iodine(III) Compounds in an Unprecedented Catalytic Auto-amination for Chiral Amine Synthesis, Application In Synthesis of 866-23-9, the publication is Angewandte Chemie, International Edition (2016), 55(26), 7530-7533, database is CAplus and MEDLINE.

Iodine(III) reagents are used in catalytic one-pot reactions, first as both oxidants and substrates, then as cross-coupling partners, to afford chiral polyfunctionalized amines. The strategy relies on an initial catalytic auto C(sp³)-H amination of the iodine(III) oxidant, which delivers an amine-derived iodine(I) product that is subsequently used in palladium-catalyzed cross-couplings to afford a variety of useful building blocks with high yields and excellent stereoselectivities. This study demonstrates the concept of self-amination of the hypervalent iodine reagents, which increases the value of the aryl moiety.

Angewandte Chemie, International Edition published new progress about 866-23-9. 866-23-9 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is Diethyltrichloromethylphosphonate, and the molecular formula is C5H10Cl3O3P, Application In Synthesis of 866-23-9.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Creighton, John A. published the artcileVibrational spectra of some trimethylsulfoxonium salts, -h9 and -d9, COA of Formula: C3H9ClOS, the publication is Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (1969), 25(7), 1314-18, database is CAplus.

The ir (3650-40 cm.-1) and Raman spectra of (CD3)3,SOI as a solid, Raman data for Me3SOCl and Me3SOI as salts and for the former in aqueous solution have been obtained, and the ir spectra recorded to 50 cm.-1 For the cations there are 36 fundamentals which for C3v geometry divide by Γ = 8 a1 + 4a2 + 12e. The previous interpretation of Me3SOI (C., et al., 1967) is largely confirmed by the new results. The frequencies 1339 and 1318 cm.-1 are now taken as a1 and e, resp., rather than as the reverse of this since, for the corresponding Raman lines of the chloride in solution, that at 1348 cm.-1 appears polarized while that at 1313 cm.-1 is depolarized. The ν (C-S) modes are observed in the Raman spectra. A feature of particular note in the Raman spectrum of solid Me3SOI is the prominent line at 1371 cm.-1 which appears to have its counterpart for (CD3)3SOI at 990 cm.-1 The corresponding ir bands are very weak. Comparison is made with the fundamental frequencies for the isoelectronic mol. (CH3)3PO, with small changes in the assignment.

Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy published new progress about 5034-06-0. 5034-06-0 belongs to chlorides-buliding-blocks, auxiliary class Salt,Aliphatic hydrocarbon chain, name is trimethyloxosulphonium chloride, and the molecular formula is C3H9ClOS, COA of Formula: C3H9ClOS.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Garcia-Lopez, Jose-Antonio published the artcileUse of 2-Bromophenylboronic Esters as Benzyne Precursors in the Pd-Catalyzed Synthesis of Triphenylenes, SDS of cas: 1451393-45-5, the publication is Organic Letters (2014), 16(9), 2338-2341, database is CAplus and MEDLINE.

Ortho-Substituted aryl boronates, e.g., I (X= Br, OTf), are introduced as aryne precursors for transition-metal-catalyzed transformations. On treatment with ^tBuOK and Pd(0), metal-bound aryne intermediates are formed that undergo effective trimerization to form useful triphenylene compds, e.g., II. For meta-substituted arynes, the 3:1 product ratio in favor of non-C₃ sym. material is indicative of a benzyne mechanism.

Organic Letters published new progress about 1451393-45-5. 1451393-45-5 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Bromide,Boronic acid and ester,Benzene,Boronic Acids,Boronic acid and ester, name is (2-Bromo-4-chlorophenyl)boronic acid, and the molecular formula is C6H5BBrClO2, SDS of cas: 1451393-45-5.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Sanchez, Rafael S. published the artcileLight- and Redox-Controlled Fluorescent Switch Based on a Perylenediimide-Dithienylethene Dyad, Synthetic Route of 219537-97-0, the publication is Journal of Physical Chemistry C (2012), 116(12), 7164-7172, database is CAplus.

The development of luminescent materials that are sensitive to both optical and elec. stimuli is of high interest for the fabrication of future information-processing devices. In this study we report about a novel fluorescent mol. switch (1) that can be light- and redox-controlled. This compound has been synthesized by covalent tethering of a perylenediimide fluorophore (PDI) to a dithienylethene (DTE) unit. The photochromic properties of the DTE group are preserved in the dyad, which can be reversibly converted between open (1o) and closed (1c) states upon irradiation In addition, 1 displays electrochromicity, and its ring-opening process can be promoted quant. by electrochem. oxidation Whereas the open-ring state of the switch is highly fluorescent, the emission of the PDI group in 1c is quenched by energy transfer to the DTE group. This allows large fluorescence modulation between the two states of 1, which can be operated either as an all-optical switch or by a combination of photo- and electrochem. stimuli.

Journal of Physical Chemistry C published new progress about 219537-97-0. 219537-97-0 belongs to chlorides-buliding-blocks, auxiliary class Fused/Partially Saturated Cycles,Cyclopentenes, name is 5-Chloro-3-[2-(5-chloro-2-methylthien-3-yl)cyclopent-1-en-1-yl]-2-methylthiophene, and the molecular formula is C15H14Cl2S2, Synthetic Route of 219537-97-0.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Alepee, Nathalie published the artcileUsefulness of the EpiSkin reconstructed human epidermis model within Integrated Approaches on Testing and Assessment (IATA) for skin corrosion and irritation, Category: chlorides-buliding-blocks, the publication is Toxicology In Vitro (2019), 147-167, database is CAplus and MEDLINE.

Predictive capacity of the EpiSkin model was evaluated on 87 chems. using the Bottom-Up and the Top-Down testing approaches recommended within Integrated Approach on Testing and Assessment for the identification of both skin irritation and corrosion hazards. Classified (UN GHS Cat. 1 and Cat. 2) chems. were identified with a very high sensitivity (�4%) and the non-classified (UN GHS Cat. 3 and No Cat.) chems. with an appropriate specificity (70%). Very high sensitivities were obtained for the identification of Cat. 1 chems. (�8%), very high specificities for non-Cat. 1 chems. (93%), and accuracies of -95% for the identification of skin corrosives vs. non-corrosives by both approaches. Overall accuracies of 72% were found for predicting the single (sub)categories: non-classified, Cat. 2, Subcat. 1B/1C and Subcat. 1A. Results indicated the testing strategies to be more predictive than the individual assays on a conservative safety approach. Finally, no extreme misclassifications (no under-prediction of in vivo Subcat. 1A as non-Cat. 1, and no over-prediction of non-classified chem. as Subcat. 1A) occur. These findings, independently of the approach used, confirm the usefulness of the EpiSkin in vitro model for a safe prediction of the skin irritant and corrosive hazards of chems.

Toxicology In Vitro published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C6H3ClFNO2, Category: chlorides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Couture, Axel published the artcileA convenient synthetic methodology for the elaboration of the pyrido[2,3-b]- or -[3,4-b]pyrazine and -[1,4]diazepine skeletons, Application of 2-Chloro-N,N-dimethylpropan-1-amine hydrochloride, the publication is Synthesis (1991), 982-4, database is CAplus.

The condensation of the anion of (acylamino)chloropyridines I (X, Y = N, CH; R = H, Me; R¹ = H, Cl) with R²CHCl(CH₂)_nNMe₂·HCl gave efficiently tetrahydropyridopyrazines II (n = 1) and tetrahydropyridodiazepines II (n = 2).

Synthesis published new progress about 4584-49-0. 4584-49-0 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Salt,Amine,Aliphatic hydrocarbon chain, name is 2-Chloro-N,N-dimethylpropan-1-amine hydrochloride, and the molecular formula is C5H13Cl2N, Application of 2-Chloro-N,N-dimethylpropan-1-amine hydrochloride.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Futsaeter, Nils published the artcileStudies of hydrogen bonding. XXXI. NMR studies of solute-solute-solvent interaction, Application of Diethyltrichloromethylphosphonate, the publication is Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (1980), 36A(12), 1083-8, database is CAplus.

The interactions of 2-methyl-6-tert-butylphenol (I) with CHCl₃ and phosphoryl compds, e.g. (Me₂N)₃PO, in cyclohexane, CHCl₃, and CCl₄ solutions were studied by NMR; thermodn. calculations were also reported. H-bonding was proposed; its extent was solvent dependent. The association constant (K) values indicated 1:1 association in all cases. The K values for the association of I with the phosphoryl compounds were less for the CHCl₃ than for the other solutions This change was attributed to the competitive equilibrium between solvent and solute and was discussed and correlated with the proton acceptor or donor property of the solvent.

Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy published new progress about 866-23-9. 866-23-9 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is Diethyltrichloromethylphosphonate, and the molecular formula is C5H10Cl3O3P, Application of Diethyltrichloromethylphosphonate.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Aksnes, Gunnar published the artcileIntermolecular hydrogen bond association between phenol and organophosphorus compounds, Synthetic Route of 866-23-9, the publication is Acta Chemica Scandinavica (1960), 1485-94, database is CAplus.

The intermol. H-bond association constants between phenol and 18 organophosphorus compounds were determined at 20° and 50°. The ΔF, ΔH, and ΔS values of the equilibrium reactions vary linearly with the H-bond shift in such a way that an increase in enthalpy is counteracted by a decrease in entropy. The strong influence of the substituents in organophosphorus compounds on the H-bond association constants is discussed in terms of the electronic properties of the P atom and the substituents. The connection between H-bond formation and the proton-transfer reaction is commented on.

Acta Chemica Scandinavica published new progress about 866-23-9. 866-23-9 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is Diethyltrichloromethylphosphonate, and the molecular formula is C5H10Cl3O3P, Synthetic Route of 866-23-9.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Braunstein, Pierre published the artcileCarbonyl clusters with a capping methylidyne phosphonate ligand. Crystal structure of [Co₃(CO)₉{η¹-μ₃-[CP(O)(OEt)₂]}], Application In Synthesis of 866-23-9, the publication is Journal of Organometallic Chemistry (1997), 541(1-2), 417-422, database is CAplus.

The bridging methylidyne clusters [Co₃(CO)₉{η¹-μ₃-[CP(O)(OR)₂]}] (1, R = Et; 3, R = SiMe₃) with α-phosphoryl substituents were synthesized by reaction of Cl₃CP(O)(OR)₂ with Co₂(CO)₈, followed by protonation. Cluster 3 was also obtained by the reaction of 1 with Me₃SiBr. The structure of 1 was determined by x-ray crystallog. The donor properties of the P:O function toward Lewis acids such as [Cp₂MCl]⁺ (M = Ti, Zr) were used to assemble early-late metal systems.

Journal of Organometallic Chemistry published new progress about 866-23-9. 866-23-9 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is Diethyltrichloromethylphosphonate, and the molecular formula is C5H10Cl3O3P, Application In Synthesis of 866-23-9.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics