Month: December 2022

Joly, D. published the artcileMetal-free organic sensitizers with narrow absorption in the visible for solar cells exceeding 10% efficiency, Formula: C12H19BrS, the publication is Energy & Environmental Science (2015), 8(7), 2010-2018, database is CAplus.

A novel family of six donor-acceptor type organic sensitizers for dye-sensitized solar cells (DSSCs) is reported. The dyes have been designed to have outstanding light absorption properties in the visible range and being able to achieve high photon-to-elec. current conversion for BIPV (building-integrated photovoltaic). Moreover, stability tests under illumination at 1 Sun and 65 °C showed a great stability for some of the devices, with less than 6% decrease of power conversion efficiency after 3000 h. The differences in the performance of the six sensitizers under standard illumination conditions can be correlated with the observed differences in the photo-induced transient photovoltage and in charge extraction measurements. We report the use of one of the dyes for the fabrication of semi-transparent solar modules showing an active area of 1400 cm² and a power output of 10.5 W m^-2.

Energy & Environmental Science published new progress about 303734-52-3. 303734-52-3 belongs to bromides-buliding-blocks, auxiliary class Thiophene,Bromide, name is 2-Bromo-3-(2-ethylhexyl)thiophene, and the molecular formula is C12H19BrS, Formula: C12H19BrS.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Weygand, Friedrich published the artcileDehalogenation with sodium mercaptides, Category: bromides-buliding-blocks, the publication is Rev. Chim., Acad. Rep. Populaire Roumaine (1962), 7(2), 1379-92, database is CAplus.

The reactions of vicinal dihalides with mercaptides, leading to olefins or bis(alkyl- or arylthio) compounds were investigated and interpreted. The results indicated that the olefin-forming dehalogenation of vicinal dihalides was especially easy in compounds substituted with electron-attracting groups. The NaSEt suspension used was prepared by conversion of Na in ether with 10% excess EtSH. Dropwise addition of Me dibromodihydrocinnamate in ether to the mercaptide suspension gave Me cinnamate in 100% yield, also obtained in 82% yield with NaSPh. Dibenzalacetone was obtained in a similar manner in 80% yield from dibenzalacetone tetrabromide, coumarin in 97%, yield from 3,4-dibromodihydrocoumarin, and cholesterol in 93% yield from 5,6-dibromocholesterol and NaSEt. Reactions of the thiophenolate with 2,3-dimethyl-2,3-dibromobutane gave tetramethylethylene in 100% yield, with 2,3-dibromobutane, 2-butene in 72% yield, with 1,2-diiodoethane (heating), ethylene in 76% yield and with hexachloroethane (heating), tetrachloroethylene in 69% yield. In order to examine the stereospecificity of the dehalogenation, the di-Me dl- and meso-dibromosuccinate were converted with NaSEt in ether, to give di Me maleate and fumarate, resp., indicating that trans elimination occurred. No elimination by olefin formation but substitution was the result when 1,2-dibromides were treated with NaSPh. In this manner 1,2-bis(phenylthio)propane was obtained in 83% yield, b_0.03 168°, from 1,2-dibromopropane, and 1,4-bis(phenylthio)-2-butene, m. 80°, in 93% yield from 1,4-dibromo-2-butene. Similar treatment of 1,2,3,4-tetrabromobutane gave olefin formation in the 2,3-position and substitution in the 1,4-position. Treatment of the 1-chloro-1-(ethylthio)acetophenone with NaSEt gave the 1,2-bis(ethylthio)-l,2-dibenzoylethane in 37% yield. Similar treatment of di-Et bromomalonate gave di-Et (ethylthio)malonate, b₁₁ 135-7°, and tetra-Et ethanetetracarboxylate, m. 76°. In the same way 2,2,3,3-tetracarbethoxybutane, n²⁰_D 1.4459 (55%), and di-Et methylmalonate, b. 83-6°, n²⁰_D – 1.4170 (34%), were obtained from di-Et methylbromomalonate. Analogous treatment of di-Et chloromalonate and di-Et dibromomalonate gave di-Et (ethylthio)malonate, b₁₁ 135°, 70% yield, tetra-Et ethylenetetracarboxylate, m. 56°, 55% yield. Tetracyanoethylene, m. 197°, was obtained in 36% yield from dibromomalononitrile-KBr complex; 1,1,2,2-tetracarbethoxycyclopropane, m. 42°, was obtained in 70% yield from 1,3-dibromo-1,1,3,3-tetracarbethoxypropane, and di-Et 1,2-bis(ethylthio)succinate, b_0.1 117-35°, in 52% yield from the addition product of di-Et fumarate and EtSCl. 1,2-Bis(phenylthio)cyclohexane, b_0.1 185-96°, was obtained in 49% yield by treatment of 2-chlorocyclohexyl Ph sulfide with NaSPh.

Rev. Chim., Acad. Rep. Populaire Roumaine published new progress about 594-81-0. 594-81-0 belongs to bromides-buliding-blocks, auxiliary class Bromide,Aliphatic hydrocarbon chain, name is 2,3-Dibromo-2,3-dimethylbutane, and the molecular formula is C44H28ClFeN4, Category: bromides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Ganis, Paolo published the artcileThe crystal structure of a new form of the cyclic condensation product of methyl succinate (dimethyl 2,5-dihydroxy-l,4-cyclohexadiene-1,4-dicarboxylate: crystal form II, Computed Properties of 594-81-0, the publication is Atti Accad. Naz. Lincei Rend. Classe Sci. Fis. Mat. Nat. (1963), 35(1-2), 68-79, database is CAplus.

A 2nd crystal form of the title compound was crystallized from AcOEt as thick irregular prisms. Weissenberg photographs taken along the 3 principal axes with Cu Kα radiation established the triclinic space group P1̅ and the cell constants a 8.45 ± 0.05, b 6.90 ± 0.05, c 4.97 ±: 0.03 A., α 118° ± 1°, β 94° ± 1°, γ 94° ± 1°; d. (calculated) is 1.52. Positional parameters for C and O atoms were obtained from Patterson maps and refined by Fourier methods to R factors of 12.5 and 16.1% for [001] and [010] projections, by using B factors of 2.5 A.². H atoms, placed in their stereochem. accepted positions, were included in structure-factor calculations but not refined. A list of 216 F₀ and F₀ is given. Bond distances and angles are within the accepted values reported for analogous structures. Contact distances exclude the possibility of intermol. H-bond formation. A very nearly planar mol. results, however, from intramol. H bonding between the OH and COOH groups adjacent on the planar cyclohexadiene nucleus. The C:C distance of 1.33 ± 0.04 A. is compatibile only with an enolic form of the compound

Atti Accad. Naz. Lincei Rend. Classe Sci. Fis. Mat. Nat. published new progress about 594-81-0. 594-81-0 belongs to bromides-buliding-blocks, auxiliary class Bromide,Aliphatic hydrocarbon chain, name is 2,3-Dibromo-2,3-dimethylbutane, and the molecular formula is C6H12Br2, Computed Properties of 594-81-0.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Maeda, Dean Y. published the artcileDiscovery of 2-[5-(4-Fluorophenylcarbamoyl)pyridin-2-ylsulfanylmethyl]phenylboronic Acid (SX-517): Noncompetitive Boronic Acid Antagonist of CXCR1 and CXCR2, Related Products of bromides-buliding-blocks, the publication is Journal of Medicinal Chemistry (2014), 57(20), 8378-8397, database is CAplus and MEDLINE.

The G protein-coupled chemokine receptors CXCR1 and CXCR2 play key roles in inflammatory diseases and carcinogenesis. In inflammation, they activate and recruit polymorphonuclear cells (PMNs) through binding of the chemokines CXCL1 (CXCR1) and CXCL8 (CXCR1 and CXCR2). Structure-activity studies that examined the effect of a novel series of S-substituted 6-mercapto-N-phenyl-nicotinamides on CXCL1-stimulated Ca²⁺ flux in whole human PMNs led to the discovery of 2-[5-(4-fluorophenylcarbamoyl)pyridin-2-ylsulfanylmethyl]phenylboronic acid (SX-517), a potent noncompetitive boronic acid CXCR1/2 antagonist. SX-517 inhibited CXCL1-induced Ca²⁺ flux (IC₅₀ = 38 nM) in human PMNs but had no effect on the Ca²⁺ flux induced by C5a, fMLF, or PAF. In recombinant HEK293 cells that stably expressed CXCR2, SX-517 antagonized CXCL8-induced [³⁵S]GTPγS binding (IC₅₀ = 60 nM) and ERK1/2 phosphorylation. Inhibition was noncompetitive, with SX-517 unable to compete the binding of [¹²⁵I]-CXCL8 to CXCR2 membranes. SX-517 (0.2 mg/kg iv) significantly inhibited inflammation in an in vivo murine model. SX-517 is the first reported boronic acid chemokine antagonist and represents a novel pharmacophore for CXCR1/2 antagonism.

Journal of Medicinal Chemistry published new progress about 66197-72-6. 66197-72-6 belongs to bromides-buliding-blocks, auxiliary class Aliphatic Chain, name is Diethyl (bromomethyl)phosphonate, and the molecular formula is C5H12BrO3P, Related Products of bromides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Malamas, Michael S. published the artcileDesign and Structure-Activity Relationships of Isothiocyanates as Potent and Selective N-Acylethanolamine-Hydrolyzing Acid Amidase Inhibitors, Recommanded Product: 4-Bromo-1-(bromomethyl)-2-fluorobenzene, the publication is Journal of Medicinal Chemistry (2021), 64(9), 5956-5972, database is CAplus and MEDLINE.

N-Acylethanolamines are signaling lipid mols. implicated in pathophysiol. conditions associated with inflammation and pain. N-Acylethanolamine acid amidase (NAAA) favorably hydrolyzes lipid palmitoylethanolamide, which plays a key role in the regulation of inflammatory and pain processes. The synthesis and structure-activity relationship studies encompassing the isothiocyanate pharmacophore have produced potent low nanomolar inhibitors for hNAAA, while exhibiting high selectivity (>100-fold) against other serine hydrolases and cysteine peptidases. We have followed a target-based structure-activity relationship approach, supported by computational methods and known cocrystals of hNAAA. We have identified systemically active inhibitors with good plasma stability (t_1/2 > 2 h) and microsomal stability (t_1/2 ∼ 15-30 min) as pharmacol. tools to investigate the role of NAAA in inflammation, pain, and drug addiction.

Journal of Medicinal Chemistry published new progress about 76283-09-5. 76283-09-5 belongs to bromides-buliding-blocks, auxiliary class Fluoride,Bromide,Benzyl bromide,Benzene, name is 4-Bromo-1-(bromomethyl)-2-fluorobenzene, and the molecular formula is C7H5Br2F, Recommanded Product: 4-Bromo-1-(bromomethyl)-2-fluorobenzene.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Basak, Shubhajit published the artcilePalladium-Catalyzed 2-fold C-H Activation/C-C Coupling for C4-Arylation of Indoles Using Weak Chelation, SDS of cas: 111-83-1, the publication is Organic Letters (2022), 24(2), 554-558, database is CAplus and MEDLINE.

Palladium-catalyzed weak chelation-assisted regioselective C4-arylation of indoles was accomplished using a readily available arene at moderate temperature The C4-arylation, weak chelating benzoyl (Bz) directing group, cross-dehydrogenative coupling (CDC), broad substrate scope, and late-stage diversifications were the important practical features.

Organic Letters published new progress about 111-83-1. 111-83-1 belongs to bromides-buliding-blocks, auxiliary class Bromide,Aliphatic hydrocarbon chain, name is 1-Bromooctane, and the molecular formula is C8H17Br, SDS of cas: 111-83-1.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Dey, Rupa Rani published the artcileNovel Metal- and Mineral-Acid-Free Synthesis of Organic Ammonium Tribromides and Application of Ethylenephenanthrolium Bistribromide for Bromination of Active Methylene Group of 1,3-Diketones and β-Ketoesters, Application In Synthesis of 111865-47-5, the publication is Synthetic Communications (2015), 45(6), 714-726, database is CAplus.

A novel procedure for the preparation of organic ammonium tribromides (OATBs) is described from their corresponding bromides. Quaternary ammonium bromides (QABs) and a N,N’-heterocyclic dibromide are efficiently oxidized to their corresponding monotribromides and bistribromide by m-chloroperbenzoic acid (MCPBA) in the presence of 2 and 4 equiv of KBr, resp. The reactions are carried out in an aqueous medium without the use of any mineral acid or metal catalyst/promoters. A variety of tribromides are synthesized in very good yields including a hitherto unknown reagent, 1,10-(ethane-1, 2-diyl)phenanthrolinediium bistribromide (EPDBT). EPDBT is investigated as brominating agent and found to be highly effective for selective bromination of active methylene groups of a variety of 1,3-diketones and β-ketoesters.

Synthetic Communications published new progress about 111865-47-5. 111865-47-5 belongs to bromides-buliding-blocks, auxiliary class Benzenes, name is Mono(N,N,N-trimethyl-1-phenylmethanaminium) tribromide, and the molecular formula is C10H16Br3N, Application In Synthesis of 111865-47-5.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Dey, Rupa R. published the artcileNovel protocol for the synthesis of organic ammonium tribromides and investigation of 1,1′-(ethane-1,2-diyl)dipiperidinium bis(tribromide) in the silylation of alcohols and thiols, Application of Mono(N,N,N-trimethyl-1-phenylmethanaminium) tribromide, the publication is Chemistry Letters (2014), 43(10), 1545-1547, database is CAplus.

A novel and efficient protocol for the synthesis of organic ammonium tribromides (OATBs) is developed by using inexpensive and eco-friendly periodic acid as an oxidant for the conversion of Br^– to Br₃^–. The method does not use any mineral acid and metal oxidants. The protocol is utilized to synthesize a new bis(tribromide) viz., 1,1′-(ethane-1,2-diyl)dipiperidinium bis(tribromide) (EDPBT). EDPBT is investigated as a catalyst in the silylation of alcs. and thiols by HMDS (hexamethyldisilazane) under solvent-free conditions.

Chemistry Letters published new progress about 111865-47-5. 111865-47-5 belongs to bromides-buliding-blocks, auxiliary class Benzenes, name is Mono(N,N,N-trimethyl-1-phenylmethanaminium) tribromide, and the molecular formula is C10H16Br3N, Application of Mono(N,N,N-trimethyl-1-phenylmethanaminium) tribromide.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Lowy, Dan A. published the artcileA new high-efficiency reagent for the potentiometry of cationic surfactants, Related Products of bromides-buliding-blocks, the publication is Process Control and Quality (1993), 4(2), 125-37, database is CAplus.

A new heteropolyanionic reagent has been used for the accurate determination of quaternary ammonium salts (QAS) in various matrixes containing strongly interfering species. The octapotassium 1-cobalto(II)[1-aqua]-1-molybdo-16-tungsto-2-phosphate (HPA) is a successful titrant of several alkyltrimethylammonium salts (with an alkyl chain of C_12-18), both in the potentiometric and the two-phase titration procedure. In order to prove the high efficiency of the proposed reagent, comparative titrations have been carried out for hexadecyltrimethylammonium bromide with HPA, sodium tetraphenylborate (TFB) and sodium dodecylsulfate (DDS). The dimidium bromide and disulfine VN 150 indicator mixture has been utilized in two-phase titrations, while the endpoint of the potentiometric titrations was detected by means of a QAS-selective liquid-membrane electrode. The relative error of the average of eight titrations by means of the three reagents decreased in the order TFB > DDS > HPA, corresponding to the increase of the association equilibrium constant: [(CH₃)₃RN]₈HPA·19H₂O > [(CH₃)₃RN]DDS > [(CH₃)₃RN]TFB.

Process Control and Quality published new progress about 518-67-2. 518-67-2 belongs to bromides-buliding-blocks, auxiliary class Other Aromatic Heterocyclic,Salt,Amine,Benzene, name is Dimidium bromide, and the molecular formula is C20H18BrN3, Related Products of bromides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Doebelin, Christelle published the artcileIdentification of potent RORβ modulators: Scaffold variation, Name: (3-Bromo-5-isopropoxyphenyl)boronic acid, the publication is Bioorganic & Medicinal Chemistry Letters (2018), 28(19), 3210-3215, database is CAplus and MEDLINE.

The authors sought to develop RORβ-selective probe mols. to investigate the function of the receptor in vitro and in vivo and its role in the pathophysiol. of disease. To accomplish this, the authors modified a potent dual RORβ/RORγ inverse agonist from the primary literature with the goal of improving selectivity for RORβ vs. RORγ. Truncation of the Western portion of the mol. ablated activity at RORγ and led to a potent series of RORβ modulators. Continued exploration of this series investigated alternate replacement cores for the aminothiazole ring. Numerous suitable replacements were found during the course of the authors’ SAR investigations and are reported herein.

Bioorganic & Medicinal Chemistry Letters published new progress about 871125-81-4. 871125-81-4 belongs to bromides-buliding-blocks, auxiliary class Bromide,Boronic acid and ester,Benzene,Ether,Boronic Acids,Boronic acid and ester, name is (3-Bromo-5-isopropoxyphenyl)boronic acid, and the molecular formula is C9H12BBrO3, Name: (3-Bromo-5-isopropoxyphenyl)boronic acid.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary