Month: October 2022

Vikram, V.; Amperayani, K. R.; Umadevi, P. published the artcile< Derivatives of 3-(Methoxycarbonyl)thiophene Thiourea as Potential Potent Bacterial Acetyl-CoA Carboxylase Inhibitors>, Recommanded Product: 4-Bromobenzylamine, the main research area is methoxy carbonyl thiophene preparation antibacterial antifungal mol docking.

Novel thiourea derivatives containing a 3-(methoxycarbonyl)thiophene pharmacophore were synthesized and tested for activity against Gram-pos. (Salmonella typhi and Klebsiella pneumonia) and Gram-neg. (Micrococcus luteus and Staphylococcus aureus) bacterial strains and fungal strains (Aspergillus niger and Fusarium oxysporum), as well as the binding energies of the synthesized compounds to the bacterial acetyl-CoA carboxylase were determined The pharmacokinetic characteristics (ADMEt) of the synthesized compounds were calculated According to both the in vitro and in silico results, the highest activity against all the strains and the highest binding efficiency to the bacterial acetyl-CoA carboxylase was characteristic Me 2-[3-(4-ethylbenzyl)thioureido]thiophene-3-carboxylate. The calculated pharmacokinetic characteristics showed that all the synthesized compounds were safe to administer orally. It was concluded that the 3-(methoxycarbonyl)thiophene thiourea derivatives could act as potent inhibitors of bacterial acetyl-CoA carboxylase.

Russian Journal of Organic Chemistry published new progress about Antibacterial agents. 3959-07-7 belongs to class bromides-buliding-blocks, and the molecular formula is C7H8BrN, Recommanded Product: 4-Bromobenzylamine.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Patnaik, Sai Gourang; Jayakumar, Tejkiran Pindi; Sawamura, Yukihiro; Matsumi, Noriyoshi published the artcile< Defined Poly(borosiloxane) as an Artificial Solid Electrolyte Interphase Layer for Thin-Film Silicon Anodes>, Computed Properties of 576-83-0, the main research area is LIB defined polyborosiloxane artificial SEI silicon anode.

Solid electrolyte interphase (SEI) formation in Li-ion batteries is essential for good long-term performance of the cell. However, for electrodes exhibiting high volume expansion (like Si and Sn), continuous SEI formation can not only deplete electrolyte content but also increase cell impedance and hence mediocre performance. This is particularly detrimental in the case of thin-film electrodes where there is a minute amount of active materials loading. In the current work, defined poly(borosiloxane) (PBS) as an artificial polymeric SEI having self-healing, anion-trapping properties, and electron-deficient boron moiety is investigated. Studies on thin-film Si electrodes show excellent enhancement with polymeric coating in terms of cycling stability. These improvements are attributed to a combination of factors including the anion-trapping effect of tricoordinate boron, self-healing ability of PBS, and adherence to the electrode surface.

ACS Applied Energy Materials published new progress about Battery anodes. 576-83-0 belongs to class bromides-buliding-blocks, and the molecular formula is C9H11Br, Computed Properties of 576-83-0.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

He, Yuli; Borjesson, Marino; Song, Huayue; Xue, Yuhang; Zeng, Daning; Martin, Ruben; Zhu, Shaolin published the artcile< Nickel-Catalyzed Ipso/Ortho Difunctionalization of Aryl Bromides with Alkynes and Alkyl Bromides via a Vinyl-to-Aryl 1,4-Hydride Shift>, Name: 3-Bromobenzotrifluoride, the main research area is polysubstituted arene preparation; aryl alkyl bromide alkyne ipso ortho difunctionalization nickel catalyst.

Polysubstituted arenes are ubiquitous structures in a myriad of medicinal agents and complex mols. Herein, a new catalytic blueprint that merges the modularity of nickel catalysis for bond formation with the ability to enable a rather elusive 1,4-hydride shift at arene sp2 C-H sites, thus allowing access to ipso/ortho-difunctionalized arenes from readily available aryl halides under mild conditions and exquisite selectivity profile is reported.

Journal of the American Chemical Society published new progress about Alkenes Role: SPN (Synthetic Preparation), PREP (Preparation). 401-78-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H4BrF3, Name: 3-Bromobenzotrifluoride.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Su, Shihu; Zhou, Xia; Zhou, Yan; Liao, Guoping; Shi, Li; Yang, Xia; Zhang, Xian; Jin, Linhong published the artcile< Synthesis and biological evaluation of novel sulfone derivatives containing 1,3,4-oxadiazole moiety>, Safety of Methyl 2-bromo-5-fluorobenzoate, the main research area is sulfonyl oxadiazole preparation fungicidal SAR antibacterial toxic regression.

Series of novel sulfone derivatives containing 1,3,4-oxadiazole moiety I [R1 = 4-F-2-Me, 2,5-Cl2, 2-Br-4-F, etc.; R2 = Me, Et, CH(CH3)2, n-propyl] and II [R2 = Me, Et, CH2Ph] were synthesized. All the target compounds were characterized by 1H and 13C NMR, IR spectroscopy and elemental anal. Their antifungal activities were tested in vitro with six important phytopathogenic fungi, namely, Gibberella zeae, Fusarium oxysporum, Cytospora mandshurica, Phytophthora infestans, Paralepetopsis sasakii and Sclerotinia sclerotiorum using the mycelium growth inhibition method. Their antibacterial activities were tested in vitro with two important phytopathogenic bacteria, namely, Xanthomonas oryzae and Ralstonia solanacearum from tobacco bacterial by the turbid meter test. Compounds I [R1 = 2-Cl-4-F, 4-CF3; R2 = Me] and II [R2 = Me, Et] exhibited the most potent inhibition against R. solanacearum and X. oryzae with 50% inhibition concentration (EC50) from 1.97 to 7.75 μg/mL and 0.45 to 0.52 μg/mL, resp. Their antifungal tests indicated that among target compounds exhibited good antifungal activities against six kinds of fungi, especially against S. sclerotiorum with EC50 from 3.71 to 17.44 μg/mL. In vivo antibacterial activities tests demonstrated that the controlling effect of compound II [R2 = Me] (81.9%) against rice bacterial leaf blight were better than that of bismerthiazol (50.8%) and thiodiazole-copper (44.7%). The results also demonstrated that compounds I [R1 = 2-Cl-4-F; R2 = Me] and II [R2 = Me, Et] had a better antifungal and antibacterial activity, with good characteristics of broad spectrum. The structure-activity relationships were also discussed.

World Journal of Organic Chemistry published new progress about Agrochemical antibacterial agents. 6942-39-8 belongs to class bromides-buliding-blocks, and the molecular formula is C8H6BrFO2, Safety of Methyl 2-bromo-5-fluorobenzoate.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Zhan, Bei-Bei; Jia, Zhen-Sheng; Luo, Jun; Jin, Liang; Lin, Xu-Feng; Shi, Bing-Feng published the artcile< Palladium-Catalyzed Directed Atroposelective C-H Allylation via β-H Elimination: 1,1-Disubstituted Alkenes as Allyl Surrogates>, Recommanded Product: 2-Bromo-4-isopropylaniline, the main research area is unsaturated ester enantioselective synthesis allylation elimination alkene methacrylate; allylation palladium catalyst.

Transition-metal-catalyzed dehydrogenative C-H allylation with 1,1-disubstituted alkenes via β-H elimination remains challenging, because of the low reactivity and difficulty of controlling selectivity. Herein, the development of a Pd(II)-catalyzed directed atroposelective C-H allylation with methacrylates is described. Exclusive allylic selectivity was achieved. A vast array of axially chiral biaryl-2-amines are efficiently synthesized with excellent enantioselectivities (up to >99% enantiomeric excess).

Organic Letters published new progress about Alkenes Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 51605-97-1 belongs to class bromides-buliding-blocks, and the molecular formula is C9H12BrN, Recommanded Product: 2-Bromo-4-isopropylaniline.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Venu, Boosa; Shirisha, Varimalla; Vishali, Bilakanti; Naresh, Gutta; Kishore, Ramineni; Sreedhar, Inkollu; Venugopal, Akula published the artcile< A Cu-BTC metal-organic framework (MOF) as an efficient heterogeneous catalyst for the aerobic oxidative synthesis of imines from primary amines under solvent free conditions>, Application In Synthesis of 3959-07-7, the main research area is metal organic framework catalyst amine aerobic oxidation imine synthesis; physicochem property.

A Cu-BTC (MOF-199) [copper(II)-benzene-1,3,5-tricarboxylate] catalyst has been synthesized and evaluated for imine synthesis from amine compounds under neat conditions. The performance of the Cu-BTC MOF was significantly higher than that of the CuO supported on Al2O3, TiO2 and SiO2 catalysts. The role of surface Lewis acid sites on the catalyst in the formation of imine products was illustrated by the pyridine-IR studies. The recovered Cu-BTC catalyst demonstrated consistent activity for five cycles under similar exptl. conditions. The physicochem. properties of the catalysts were analyzed by XRD, BET-SA, FT-IR, UV-DRS, SEM, TEM, XPS and pyridine adsorbed DRIFT spectroscopy.

New Journal of Chemistry published new progress about Green chemistry. 3959-07-7 belongs to class bromides-buliding-blocks, and the molecular formula is C7H8BrN, Application In Synthesis of 3959-07-7.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Hazra, Gurupada; Mishra, Gitanjali; Dandela, Rambabu; Thirupathi, Barla published the artcile< A Method to Access Highly Functionalized Dibenzobicyclo[3.2.1]octadienones: Application to the Construction of the 6/6/5/6/6 Carbon Skeleton of Rubialatin A>, Recommanded Product: 2-Bromo-3-methoxyphenol, the main research area is keto indandione aryne insertion diastereoselective; dibenzobicyclo octadienone stereoselective preparation.

The dibenzobicyclo[3.2.1]octadienone scaffold, which has been found in naphthocyclinones, engelharquinones, rubialatin A, etc., has been synthesized under mild transition metal-free conditions by aryne insertion reaction with 2-keto-1,3-indandiones. The application of this methodol. has been demonstrated for the synthesis of the 6/6/5/6/6 scaffold of rubialatin A. 1H NMR exptl. studies confirm that the reaction proceeds through the formation of benzocyclobutane followed by a 7-member carbocycle ring.

Journal of Organic Chemistry published new progress about Alkynes, arynes Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 135999-16-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H7BrO2, Recommanded Product: 2-Bromo-3-methoxyphenol.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Ariano, R. published the artcile< Determining the proportion of cement in finished concrete>, Synthetic Route of 82-73-5, the main research area is .

The methods of Kriege (cf. C. A. 25, 4680) and Florentin (cf. C. A. 21, 3440) consist in solubilizing the SiO2 of the cement (which is present as Ca silicates) by treating with HCl and then determining it by the usual methods. In Scheibe’s method (cf. C. A. 29, 8273.5) the coarse aggregate is eliminated, the residue (sand and cement) is pulverized and the portions soluble and insoluble in HCl are determined after calcination; it is assumed arbitrarily that the sum of the loss on ignition and the insoluble matter in the cement = 3%. It is then easy to calculate the amount of cement. None of these methods gives reliable results, and the same is true of indirect methods based only on the finished concrete and on samples of the sand and gravel entering into its composition There always remains a certain degree of uncertainty if the complete composition of the cement and the loss on ignition are not known. It should be noted that in all cases where the concrete itself is analyzed, the results give the composition of the finished concrete, and not that of the original mix. For the water also, it is possible to establish only the quantity which is actually combined in the concrete.

Chimie et Industrie (Paris) published new progress about Cement. 82-73-5 belongs to class bromides-buliding-blocks, and the molecular formula is C8H3BrO3, Synthetic Route of 82-73-5.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Yu, Bangkui; Zou, Suchen; Liu, Hongchi; Huang, Hanmin published the artcile< Palladium-Catalyzed Ring-Closing Reaction via C-N Bond Metathesis for Rapid Construction of Saturated N-Heterocycles>, Product Details of C7H8BrN, the main research area is spirocycle preparation palladium catalyzed ring closure aminodiene aminal; fused ring preparation palladium catalyzed ring closure aminodiene aminal.

The ring-closing reactions based on chem. bond metathesis enable the efficient construction of a wide variety of cyclic systems which receive broad interest from medicinal and organic communities. However, the analogous reaction with C-N bond metathesis as a strategic fundamental step remains an unanswered challenge. Herein, we report the design of a new fundamental metallic C-N bond metathesis reaction that enables the palladium-catalyzed ring-closing reaction of aminodienes with aminals. The reactions proceed efficiently under mild conditions and exhibit broad substrate generality and functional group compatibility, leading to a wide variety of 5- to 16-membered N-heterocycles bearing diverse frameworks and functional groups.

Journal of the American Chemical Society published new progress about Alkadienes Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation) (amino). 3959-07-7 belongs to class bromides-buliding-blocks, and the molecular formula is C7H8BrN, Product Details of C7H8BrN.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Shanahan, Rachel M.; Hickey, Aobha; Reen, F. Jerry; O’Gara, Fergal; McGlacken, Gerard P. published the artcile< Synthesis of Benzofuroquinolines via Phosphine-Free Direct Arylation of 4-Phenoxyquinolines in Air>, Computed Properties of 81107-97-3, the main research area is benzofuroquinoline preparation; bromophenoxyquinoline palladium catalyst arylation.

A palladium-catalyzed, phosphine-free, direct arylation of 4-phenoxyquinolines for the synthesis of fused benzofuroquinolines I [R1 = H, 2-F, 2-OMe, etc.; R2 = H, 8-Me, 9-F, etc.; R3 = H, Me, n-heptyl] in air was described. Using an intramol. approach, the ring-closed products were formed in yields of up to 95 %. This approach allowed access to a range of benzofuroquinolines and an array of functional groups on both the quinoline and phenoxy rings were tolerated. Modification of the methodol. allowed the inclusion of 4-anilinoquinoline substrates, without the requirement for N-protection. Finally, electron-poor quinolines appeared to work best as evidenced by competition experiments

European Journal of Organic Chemistry published new progress about Arylation. 81107-97-3 belongs to class bromides-buliding-blocks, and the molecular formula is C7H4BrF3O, Computed Properties of 81107-97-3.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary