Category: bromides-buliding-blocks

Oka, Hiroyuki published the artcileSynthesis and characterization of poly(1,3-phenylene)-based polyradical carrying cyclic nitroxides observation of ferromagnetic interaction, HPLC of Formula: 111865-47-5, the publication is Polymer Journal (Tokyo) (1999), 31(11-1), 979-982, database is CAplus.

A poly(1,3-phenylene) containing cyclic nitroxide radicals which are planar in most cases, favoring extensive delocalization of unpaired electrons over the whole of radical mol. was prepared and the magnetic properties were studied. The radical containing polyphenylene was prepared by Pd-catalyzed cross-coupling of 6,8-Dibromo-2,2,4,4-tetramethyl-1H,2H,4H-3,1-benzoxazine and 2,2′-(1,3-phenylene)bis-1,3,2-Dioxaborinane, in the presence of Bu₄NCl and K₂CO₃ under N; the intermediate was oxidized by 3-chloroperoxybenzoic acid to generate the polyradical. The spin concentration of the polyradical determined by ESR was 1.61 x 1021 spins/g, corresponding to 0.75 spin per repeating unit. Spin concentration was constant in the solid state for a long time at room temperature A clear absorption peak due to the AM^s = 2 forbidden transition was observed at 5.5-60 K. The signal intensity vs. T-1 plots gives a linear relationship, indicating that the polyradical is in part at least in a triplet ground state (or both the triplet and singlet are nearly degenerated). The intramol. magnetic interaction through the n-conjugation is thus ferromagnetic.

Polymer Journal (Tokyo) 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, HPLC of Formula: 111865-47-5.

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

Norrild, Jens Chr. published the artcileDesign, synthesis and structure of new potential electrochemically active boronic acid-based glucose sensors, Computed Properties of 166821-88-1, the publication is Journal of the Chemical Society, Perkin Transactions 2 (2002), 303-311, database is CAplus.

In the authors’ studies on new boronic acid based carbohydrate sensors three new boronic acids (2-FcCH₂NMeCH₂C₆H₄B(OH)₂ (3), 1,2-(2-(HO)₂BC₆H₄CH₂NMeCH₂)₂ferrocene (7) and 1,1′-(2-(HO)₂BC₆H₄CH₂NMeCH₂)₂ferrocene (11)) containing a ferrocene moiety were synthesized. Their design includes an intramol. B-N bonding motif to facilitate binding at physiol. pH. The authors report the synthesis of the compounds and studies on glucose complexation as studied by ¹³C NMR spectroscopy. The crystal structure of 2,4,6-tris[2-(N-ferrocenylmethyl-N-methylaminomethyl)phenyl]boroxin (13) (boroxin of boronic acid 3) (boroxin = cyclotriboroxane) was obtained and compared with structures obtained of 2,4,6-tris[2-(N,N-dimethylaminomethyl)phenyl]boroxin (14) and 2-(2-(dimethylaminomethyl)phenyl)-5,5-dimethyl-1,3,2-dioxaborinane (15). The structure of 13 shows the existence of intramol. B-N bonds in the solid phase.

Journal of the Chemical Society, Perkin Transactions 2 published new progress about 166821-88-1. 166821-88-1 belongs to bromides-buliding-blocks, auxiliary class Bromide,Boronic acid and ester,Benzyl bromide,Benzene,Boronic Acids,Boronic acid and ester, name is 2-(2-(Bromomethyl)phenyl)-5,5-dimethyl-1,3,2-dioxaborinane, and the molecular formula is C12H16BBrO2, Computed Properties of 166821-88-1.

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

Scott, Philip J. published the artcilePhosphonium-Based Polyzwitterions: Influence of Ionic Structure and Association on Mechanical Properties, Synthetic Route of 55788-44-8, the publication is Macromolecules (Washington, DC, United States) (2020), 53(24), 11009-11018, database is CAplus.

This manuscript describes a synthetic strategy and structure-property investigation of unprecedented phosphonium-based zwitterionic homopolymers (polyzwitterions) and random copolymers (zwitterionomers). Free radical polymerization of 4-(diphenylphosphino)styrene (DPPS) provided neutral polymers containing reactive triarylphosphines. Quant. postpolymn. alkylation of these pendant functionalities generated a library of polymers containing various concentrations of neutral phosphines, phosphonium ions, and phosphonium sulfobetaine zwitterions. The zwitterionic homo- and copolymers exhibited significantly higher glass transition temperatures (T_g) and enhanced mech. reinforcement in comparison to neutral and phosphonium analogs. These changes in T_g and mech. properties were attributed to nanoscale morphol. domains, which formed due to electrostatic interactions between zwitterionic groups, as revealed by X-ray scattering and broadband dielec. spectroscopy (BDS). BDS revealed increased static dielec. constants (>25) for the phosphonium zwitterionomers compared to ionomeric or neutral analogs. These high static dielec. constants for the solvent-free polyzwitterions supported their stronger polarization response in comparison with polymers containing neutral phosphines and phosphonium ions, and these interactions accounted for morphol. differences and enhanced mech. behavior. This work describes a versatile strategy for modulating electrostatic interactions with tunable mech. properties for an unprecedented family of zwitterionic polymers.

Macromolecules (Washington, DC, United States) published new progress about 55788-44-8. 55788-44-8 belongs to bromides-buliding-blocks, auxiliary class Bromide,Salt,Aliphatic hydrocarbon chain,Aliphatic hydrocarbon chain, name is Sodium 3-bromopropane-1-sulfonate, and the molecular formula is C12H17NS2, Synthetic Route of 55788-44-8.

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

Helberger, Johann H. published the artcileOrganic sulfonic acids. VII. Preparation and reactions of 3-halo-1-propanesulfonamides, Synthetic Route of 55788-44-8, the publication is Justus Liebigs Annalen der Chemie (1963), 67-74, database is CAplus.

cf. CA 49, 9486c. KBr (47.6 g.) in 70 cc. H₂O treated with 48.8 g. molten 1,3-propanesultone (I) at 60° with stirring, stirred several min. until I dissolved, evaporated on a H₂O bath, and the residue cooled, washed with cold EtOH, and dried in vacuo gave (in 2 crops) 76.7 g. X(CH₂)₃SO₃R (II) (X = Br, R = K) (III), which was recrystallized from 3:1 EtOH-H₂O for analysis. Molten I (35 g.) added to 42 g. NaBr in 38 cc. H₂O with continuous stirring and worked up gave (in 2 crops) 54 g. II (X = Br, R = Na) (IIIa). NaCl (4 g.) in 15 cc. H₂O treated in 1 lot with 8.2 g. molten I at 60° with stirring, stirred until complete solution, and evaporated (H₂O bath) gave (in 2 crops) 11.7 g. II (X = Cl, R = Na) (IV). III (21.6 g.) mixed with 24 g. PCl₅ in small portions with stirring, the resulting oil heated 10 min. at 70° (H₂O bath), cooled, poured in small portions into ice H₂O with stirring, stirred 1 hr. below 20°, extracted with Et₂O, the extract washed with H₂O and aqueous NaHCO₃, added portionwise to 21 cc. 25% aqueous NH₃, the aqueous phase extracted with 5 15-cc. portions Et₂O, the combined Et₂O solutions dried, and evaporated in vacuo gave 8.5 g. X(CH₂)₃SO₂NRR’ (V) (X = Br, R = R’ = H) (VI), m. 59-61° (CHCl₃). IV (9 g.) treated with 14 g. PCl₅ like VI, the sulfonyl chloride extracted with Et₂O, the extract washed with H₂O, and aqueous NaHCO₃, added portionwise to 15 cc. 25% aqueous NH₃ at below 15° with stirring and ice cooling, stirred 20 min., and the product which separated washed with 5 cc. 1:2 Et₂O-petr. ether gave (including product obtained from the mother liquors) 4 g. V (X = CIl R = R’ = H), m. 63-5°. Finely powd. dry II (X = iodine, R = Na) (VII) (prepared like IV) added portionwise to 34.5 g. PCl₅ with stirring and cooling, the viscous mixture kept 6 hrs. at room temperature, heated 10 min. at 70°, cooled, poured into ice H₂O with stirring keeping the temperature below 20°, the sulfonyl chloride containing some iodine extracted with Et₂O, the extract decolorized with a little NaHSO₈, washed with H₂O and aqueous NaHCO₃, added portionwise to 30 cc. 25% aqueous NH₃ with stirring and ice cooling, and stirred 0.5 hr. at below 10° gave 19.6 g. V (X = iodine, R = R’ = H) (VII), m. 94-6° (H₂O). VII (13.6 g.) treated similarly with 10.3 g. PCl₅, the Et₂O solution of the sulfonyl chloride treated at 5° with 25 cc. Me₂NH with stirring keeping the temperature below 10° until the product crystallized, the precipitate washed twice with 5 cc. ice H₂O, and recrystd, from EtOH with C gave 5.7 g. V (X = iodine, R = R’ = Me), m. 67-8° (EtOH). IV (9 g.) treated with 14 g. PCl₅ like VI, the Et₂O solution of the sulfonyl chloride treated with 10.5 g. p-MeC₆H₄NH₂ (IX) in Et₂O at 20°, kept several days, filtered, the filtrate washed with dilute HCl, dried, concentrated in vacuo, and recrystallized from EtOH-H₂O gave 7 g. V (X = Cl, R = H, R’ = C₆H₄Me-p), m. 73-5° (EtOH-H₂O). IIIa (20.3 g.) treated with 24 g. PCl₅, the Et₂O solution of the sulfonyl chloride added to 19.3 g. IX in 80 cc. Et₂O at room temperature, kept several days, filtered, the filtrate washed with dilute HCl, dried, concentrated in vacuo and the residue recrystallized from 2:1 EtOH-H₂O (solvent A) gave 13.2 g. V (X = Br, R = H, R’ = C₆H₄Me-p)(X),m. 66-7°(A). X(2.5 g.)and 10 g. Ac₂O refluxed 3 hrs., cooled, poured into ice H₂O, and kept 3 hrs. gave 2.5 g. N-Ac derivative (XI) of X, m. 87-8° (80% MeOH). VII (6.8 g.) treated with 6 g. PCl₅ like VIII, the Et₂O solution of the sulfonyl chloride combined with 6 g. IX in 25 cc. Et₂O at 20°, kept several days, filtered, the filtrate washed repeatedly with dilute HCl, dried, concentrated in vacuo, and the residue crystallized from 14 cc. EtOH gave 4.5 g. V (X = iodine, R = H, R’ = C₆H₄Me-p), m. 69-70° (EtOH with C); 98% N-Ac derivative m. 75-8° (EtOH). III (21.6 g.) treated with 24 g. PCl₅ like VI, the Et₂O solution of the sulfonyl chloride added portionwise to 16.8 g. PhNH₂ in 50 cc. Et₂O at 20°, kept several days, filtered, the filtrate washed with dilute HCl, dried, concentrated in vacuo, and the residual oil repeatedly evaporated with EtOH gave 46% V (X = Br, R = H, R’ = Ph) (XII), m. 53-5° (A); 73% N-Ac derivative m. 103-5° (EtOH). III (21.6 g.) treated with 24 g. PCl₅, the Et₂O solution of the sulfonyl chloride added to 21.8 g. 2,6-Me₂C₆H₃NH₂ in 100 cc. Et₂O at 20°, kept at room temperature, the filtrate extracted with 5% HCl, dried, evaporated in vacuo, and the residue recrystallized from 60% aqueous EtOH (solvent B) with C gave 8.7 g. V (X = Br, R = H, R’ = C₆H₃Me₂2-,6), m. 103-4° (B). III (21.6 g.) treated with 24 g. PCl₅ like VI, the Et₂O (20 cc.) solution of the sulfonyl chloride added to 16.8 g. PhNH₂ in 50 cc. Et₂O at 20°, kept 24 hrs. at room temperature, filtered, the filtrate extracted repeatedly with 5% HCl, dried, evaporated in vacuo, the residual sirup repeatedly evaporated with EtOH, and the solid recrystallized from 80% aqueous MeOH and then from EtOH with C gave 2.4 g. V (X = PhNH, R = H, R’ = Ph) HCl salt, m. 156-7° (aqueous-alc.-HCl). X (10.2 g.) in 40 cc. C₆H₆ combined with 5.1 g. Et₂NH at room temperature, refluxed 3 hrs., cooled, filtered, the filtrate evaporated in vacuo, the residual sirup treated with 8 cc. EtOH, the precipitate (3.8 g.) filtered, washed with cold EtOH, and recrystallized from 16 cc. EtOH gave 3.5 g. 2-(p-tolyl)isothiazolidine 1,1-dioxide (XIII), m. 91-3°; the filtrate gave 2.8 g. V (X = Et₂N, R = H, R’ = C₆H₄Me-p) HCl salt (XIV.HCl), m. 144-6° (EtOH). To 7.3 g. Et₂NH was added portionwise 5.5 g. X (the temperature rose to 40°), kept 6 hrs. at room temperature, diluted with 30 cc. C₆H₆, filtered, the filtrate evaporated, and the residual solid recrystallized from EtOH to give 2.3 g. XIII. m. 90-3°; the mother liquor with 5% EtOH-HCl gave 1.3 g. XIV.HCl, m. 141-3° (EtOH). XII (4.2 g.) in 25 cc. C₆H₆ combined with 2.2 g. Et₂NH at 20°, refluxed 3 hrs., cooled, filtered, and the filtrate concentrated deposited 1.8 g. 2-phenylisothiazolidine 1,1-dioxide, m. 119-21° (EtOH); the mother liquor treated with 10% EtOH-HCl evaporated, and the residual sirup which crystallized on prolonged standing recrystallized twice from 10% EtOH-HCl with C gave 1 g. V (X = Et₂N, R = H, R’ = Ph) HCl salt, m. 147-9° (EtOH-HCl). XI (5 g.) in 25 cc. C₆H₆ refluxed 3 hrs. with 2.2 g. Et₂NH, cooled, filtered, the filtrate evaporated, the sirupy residue seeded with XIII, and worked up like XIII gave 0.4 g. XIII, m. 88-91°; the mother liquor worked up like XIV.HCl gave 1.1 g. XIV.HCl, m. 142-5°.

Justus Liebigs Annalen der Chemie published new progress about 55788-44-8. 55788-44-8 belongs to bromides-buliding-blocks, auxiliary class Bromide,Salt,Aliphatic hydrocarbon chain,Aliphatic hydrocarbon chain, name is Sodium 3-bromopropane-1-sulfonate, and the molecular formula is C3H6BrNaO3S, Synthetic Route of 55788-44-8.

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

Shanker, G. published the artcileNovel green synthetic approach for liquid crystalline materials using multi-component reactions, COA of Formula: C12H25Br, the publication is Journal of Molecular Liquids (2022), 118244, database is CAplus.

Synthesis of disk-shape liquid crystalline materials using multi-component reactions is reported. Two new series, the compounds I (R = n-C_nH_2n+1; n = 6, 7, 8, 10, 11, 12) and II, were synthesized by coupling either 2,3-dihydroxynaphthalene or 2,6-dihydroxynaphthalene with the corresponding 3,4,5-tris(alkoxy)anilines under solvent-free conditions. The mol. structures of the new materials were confirmed using ¹H NMR, ¹³C NMR and CHN elemental anal. The phase behavior was investigated using polarizing optical microscope and differential scanning calorimetry experiments All the materials exhibited room temperature discotic nematic phase during the cooling cycles as confirmed by X-ray diffraction studies. This synthetic approach provides multiple advantages such as high atom economy, short reaction time, mild reaction condition, simple workup, and do not require column chromatog. purification

Journal of Molecular Liquids published new progress about 143-15-7. 143-15-7 belongs to bromides-buliding-blocks, auxiliary class Bromide,Aliphatic hydrocarbon chain, name is 1-Bromododecane, and the molecular formula is C6H8O6, COA of Formula: C12H25Br.

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

Schoellkopf, Ulrich published the artcileSyntheses with α-metalated isocyanides, XXXVII. 1-Lithio-1-alkenyl isocyanides and their reactions with electrophiles, Quality Control of 594-81-0, the publication is Justus Liebigs Annalen der Chemie (1977), 1167-73, database is CAplus.

Lithiation of RR1C:CHNC gave RR1C:CLiNC, which, with electrophiles such as MeI, ClSiMe3, and carbonyl compounds gave RR1C:CR2NC (R = Ph, R1 = H, R2 = SiMe3, Me, CO2Et, Bz, CO2Li; R = Ph, R1 = Me, R2 = SiMe3; RR1 = (CH2)4, R2 = SiMe3). I (R3 = R4 = Me, Ph; R3 = Ph, R4 = H) were also prepared in 36-77% yields.

Justus Liebigs Annalen der Chemie 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, Quality Control of 594-81-0.

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

Zhou, Jingyuan published the artcileTriazole-substituted phenylboronic acids as tunable lead inhibitors of KPC-2 antibiotic resistance, Application of 2-(5-(Bromomethyl)-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, the publication is European Journal of Medicinal Chemistry (2022), 114571, database is CAplus and MEDLINE.

Inhibition of β-lactamases is a promising strategy to overcome antimicrobial resistance to commonly used β-lactam antibiotics. Boronic acid derivatives have proven to be effective inhibitors of β-lactamases due to their direct interaction with the catalytic site of these enzymes. We synthesized a series of phenylboronic acid derivatives and evaluated their structure-activity relationships as Klebsiella pneumoniae carbapenemase (KPC-2) inhibitors. We identified potent KPC-2 inhibitors 2e & 6c (Ki = 0.032 μM and 0.038 μM, resp.) that enhance the activity of cefotaxime in KPC-2 expressing Escherichia coli. The measured acid dissociation constants (pKa) of selected triazole-containing phenylboronic acids was broad (5.98-10.0), suggesting that this is an addnl. property of the compounds that could be tuned to optimize the target interaction and/or the physicochem. properties of the compounds These findings will help to guide the future development of boronic acid compounds as inhibitors of KPC-2 and other target proteins.

European Journal of Medicinal Chemistry published new progress about 1256360-47-0. 1256360-47-0 belongs to bromides-buliding-blocks, auxiliary class Fluoride,Bromide,Boronic acid and ester,Benzyl bromide,Benzene,Boronate Esters,Boronic Acids,Boronic acid and ester, name is 2-(5-(Bromomethyl)-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, and the molecular formula is C25H23NO4, Application of 2-(5-(Bromomethyl)-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

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

Cao, Qun published the artcileA Ball-Milling-Enabled Reformatsky Reaction, Product Details of C4H6BrFO2, the publication is ChemSusChem (2019), 12(12), 2554-2557, database is CAplus and MEDLINE.

An operationally simple one-pot one-step mechanochem. Reformatsky reaction using in situ generated organozinc intermediates under neat grinding conditions has been developed. Notable features of this reaction protocol are that it requires no solvent, no inert gases, and no pre-activation of the bulk zinc source. The developed process is demonstrated to have good substrate scope (39-82 % yield) and is effective irresp. of the initial morphol. of the zinc source.

ChemSusChem published new progress about 401-55-8. 401-55-8 belongs to bromides-buliding-blocks, auxiliary class Fluoride,Bromide,Aliphatic hydrocarbon chain,Ester, name is Ethylbromofluoroacetate, and the molecular formula is C4H6BrFO2, Product Details of C4H6BrFO2.

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

Chryssou, K. published the artcileAnalysis of three detergent products and identification of surface active agents by infrared absorption spectra and a reflectance graph, SDS of cas: 518-67-2, the publication is Research & Reviews: Journal of Chemistry (2020), 9(2), 1-10, database is CAplus.

Three types of commonly used detergents (i.e. detergent for all surfaces Ajax F[Formula Omitted]te des Fleurs by Colgate Palmolive, dishwashing detergent maki by AlindaVelco, limescale remover spray Nuevo Kirikoantical made by Casa Kiriko S.L. Spain) have been analyzed with the mixed indicator titration method which makes use of the mixed indicator dimidium bromide/disulphine blue. Also the use of IR spectroscopy for qual. identification of the anionic and non-ionic surfactants present in them is reported. Diffuse reflectance spectra (DRS) anal. is applied for the third detergent product. From the diffuse reflectance spectra the band gap energy (Eg) of the material has been estimated This method has been investigated with a single integrating sphere system over the visible wavelength range.

Research & Reviews: Journal of Chemistry 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, SDS of cas: 518-67-2.

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

Garbacz, Mateusz published the artcileThe Synthesis of Chiral Allyl Carbamates via Merger of Photoredox and Nickel Catalysis, Safety of (4-Bromobut-1-yn-1-yl)trimethylsilane, the publication is Advanced Synthesis & Catalysis (2020), 362(15), 3213-3222, database is CAplus.

A mild and versatile, organophotoredox/Ni-mediated protocol was developed for the direct preparation of diverse enantioenriched allyl carbamates. The reported approach represented a significant departure from classical step-by-step synthesis of allyl carbamates. This dual photoredox/Ni based strategy offered unrivalled capacity for convergent unification of readily available alkyl halides and chiral carbamates derived from 1-bromo-alken-3-ols with high chemoselectivity and efficiency. The reported photoredox/Ni catalyzed cross-coupling reaction was not limited to carbamates, but also to other O-derivatives such as esters, ethers, acetals, carbonates or silyl ethers. To demonstrate the utility of the reported protocol, the resulting allyl carbamates were transformed into functionalized non-racemic allylamines through a sigmatropic rearrangement reaction in enantiospecific manner. This approach allowed for synthesis of enantiomeric allylamines by a simple control of the geometry of a double bond of allyl carbamates.

Advanced Synthesis & Catalysis published new progress about 69361-41-7. 69361-41-7 belongs to bromides-buliding-blocks, auxiliary class PROTAC Linker,Aliphatic Linker, name is (4-Bromobut-1-yn-1-yl)trimethylsilane, and the molecular formula is C7H13BrSi, Safety of (4-Bromobut-1-yn-1-yl)trimethylsilane.

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