Tag: M.W=250-300

Wiskur, Sheryl L. published the artcilepK_a Values and Geometries of Secondary and Tertiary Amines Complexed to Boronic Acids-Implications for Sensor Design, Synthetic Route of 166821-88-1, the publication is Organic Letters (2001), 3(9), 1311-1314, database is CAplus and MEDLINE.

The pK_a values and the geometries of secondary and tertiary amines adjacent to boronic acids (e.g. 2-(PhCH₂NRCH₂)C₆H₄B(OH)₂; R = H, Me) were determined using potentiometric and ¹¹B NMR titrations The studies showed that the secondary ammonium ion has a pK_a similar to that of the tertiary ammonium species, which gives tetrahedral B centers at pH values ≳5.5. Therefore, secondary amines as well as tertiary amines, when placed proximal to B centers, can be used to create tetrahedral boronic acids at neutral pH for diol complexation. The mol. structure of 2,6-(2-(2-((HO)₂B)C₆H₄CH₂NHCH₂)-4-pyrimidinyl)₂pyridine was determined by x-ray crystallog.

Organic Letters 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 C8H8O3, Synthetic Route of 166821-88-1.

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

Kim, Heejin published the artcileIntegrated One-Flow Synthesis of Heterocyclic Thioquinazolinones through Serial Microreactions with Two Organolithium Intermediates, Name: (4-(Bromomethyl)phenyl)(trifluoromethyl)sulfane, the publication is Angewandte Chemie, International Edition (2015), 54(6), 1877-1880, database is CAplus and MEDLINE.

An integrated microfluidic synthesis of a biol. active thioquinazolinone library was presented. Generation of o-lithiophenyl isothiocyanate and subsequent reaction with aryl isocyanates was optimized by controlling the residence time in the microreactor to 16 ms at room temperature S-Benzylic thioquinazolinone derivatives I (R¹ = H, F, OMe, NO₂, Cl, R² = H; R¹ = H, R² = F, Cl, OCF₃, SCF₃) were synthesized within 10 s in high yields (75-98 %) at room temperature These three-step reactions involved two organolithium intermediates, an isothiocyanate-functionalized aryllithium intermediate, and a subsequent lithium thiolate intermediate. The gram-scale synthesis of a multifunctionalized thioquinazolinone in the microfluidic device with a high yield (91 %) and productivity (1.25 g in 5 min) was also described.

Angewandte Chemie, International Edition published new progress about 21101-63-3. 21101-63-3 belongs to bromides-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Bromide,sulfides,Benzyl bromide,Benzene, name is (4-(Bromomethyl)phenyl)(trifluoromethyl)sulfane, and the molecular formula is C8H6BrF3S, Name: (4-(Bromomethyl)phenyl)(trifluoromethyl)sulfane.

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

Wang, Huan published the artcileSynthesis and Evaluation of 1,2,4-Triazolo[1,5-a]pyrimidines as Antibacterial Agents Against Enterococcus faecium, HPLC of Formula: 21101-63-3, the publication is Journal of Medicinal Chemistry (2015), 58(10), 4194-4203, database is CAplus and MEDLINE.

Rapid emergence of antibiotic resistance is one of the most challenging global public health concerns. In particular, vancomycin-resistant Enterococcus faecium infections have been increasing in frequency, representing 25% of enterococci infections in intensive care units. A novel class of 1,2,4-triazolo[1,5-a]pyrimidines, e.g., I [R¹ = C₆H₄R’, 2-thienyl, 3-thienyl, 2-furyl, 2-pyrrolyl, 2-imiazolyl, 3-indolyl, 3-pyridyl, 2-methoxy-3-pyridyl, 4-pyridyl, cyclohexyl; R’ = i-Pr-4, H, Me-4, Et-4, i-Bu-4, OH-4, OMe-4, OH-3-OMe-4, (OMe)₂-3,4, O(Pr-i)-4, OCF₃-4, SMe-4, etc.], II [R¹ = C₆H₄NMe₂-4, R² = OEt,NHMe, R³ = SCH₂Ph; R¹ = 2-thienyl, R² = OEt, R³ = SCH₂C₆H₄CO₂H-4], III [R¹ = C₆H₄NMe₂-4, R³ = SCH₂Ph; R¹ = C₆H₄OMe-4, C₆H₄OEt-2, R³ = SCH₂C₆H₄CO₂H-4; R¹ = C₆H₃(OMe)₂-3,4, R³ = CH₂C₆H₄F-4; R¹ = C₆H₄Cl-4, R³ = SCH₂-(2-naphthyl)],. IV [R¹ = C₆H₄NMe₂-4, R² = H, R³ = SCH₂Ph; R¹ = C₆H₄Me-4, R² = H, R³ = SCH₂C₆H₄Me-2; R¹ = C₆H₄Me-4, R² = Me-2, Me₂-2,4, R³ = SCH₂C₆H₄Me-3; R¹ = C₆H₄Et-4, R² = H, Me-2, R³ = SCH₂C₆H₄OMe-3; etc.], V [R³ = H, NH₂, CO₂Me, CO₂Et, SMe, SCH₂CONH₂, SCH₂CO₂Et, SCH₂CH₂NHCO₂CH₂Ph, SCH₂-(4-pyridyl), S(2-pyridyl), SCH₂C₆H₄R”-4; R” = Me, OMe, SMe, CF₃, OCF₃, SCF₃, NO₂, CN, CO₂H, CO₂Me] and VI [R¹ = 2-thienyl, R³ = H; R¹ = C₆H₄CHMe₂-4, C₆H₄CO₂H-4, R³ = SCH₂CH₂NHCO₂CH₂Ph], active against E. faecium is reported herein. We used a three-component Biginelli-like heterocyclization reaction for the synthesis of a series of these derivatives based on reactions of aldehydes, β-dicarbonyl compounds, and 3-alkylthio-5-amino-1,2,4-triazoles. The resulting compounds were assayed for antimicrobial activity against the ESKAPE panel of bacteria, followed by investigation of their in vitro activities. These analyses identified a subset of 1,2,4-triazolo[1,5-a]pyrimidines that had good narrow-spectrum antibacterial activity against E. faecium and exhibited metabolic stability with low intrinsic clearance. Macromol. synthesis assays revealed cell-wall biosynthesis as the target of these antibiotics.

Journal of Medicinal Chemistry published new progress about 21101-63-3. 21101-63-3 belongs to bromides-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Bromide,sulfides,Benzyl bromide,Benzene, name is (4-(Bromomethyl)phenyl)(trifluoromethyl)sulfane, and the molecular formula is C8H5F3O3, HPLC of Formula: 21101-63-3.

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

Cho, Yongjoon published the artcileDithienogermole-Based Nonfullerene Acceptors: Roles of the Side-Chains′ Direction and Development of Green-Tinted Efficient Semitransparent Organic Solar Cells, Safety of 2-Bromo-3-(2-ethylhexyl)thiophene, the publication is ACS Applied Energy Materials (2020), 3(8), 7689-7698, database is CAplus.

Inspired by the encouraging properties of Ge-fused heterocyclic dithienogermole (DTG) in optoelectronic applications, we here report two narrow-bandgap acceptor-donor′-donor-donor′-acceptor (A-D′-D-D′-A)-type isomeric nonfullerene acceptors based on DTG (DTG-IW with inward-facing side chains vs DTG-OW with outward-facing side chains) for use in organic solar cells (OSCs). The introduction of the inward-facing side chains into the backbone results in extremely confined face-on crystallites in the solid state, as verified by grazing-incidence wide-angle X-ray scattering measurements. This result is attributed mainly to a better power conversion efficiency (PCE) of 9.16% in the OSC based on a blend of DTG-IW with a narrow-bandgap PTB7-Th donor polymer, as compared with the corresponding DTG-OW-based one. Furthermore, the appealing feature of the blend mixing of the narrow-bandgap donor and acceptor pair is that it enables the construction of a green-tinted efficient semitransparent OSC with a PCE of 6.19% and transmittance of 50.4% in the green wavelength region through incorporation of the recently formulated semitransparent Ag/Sb₂O₃/Ag electrode. Overall, in addition to providing useful perspectives into the side-chain engineering of nonfullerene acceptors, this work highlights that OSC based on the A-D′-D-D′-A-type DTG is a promising narrow-bandgap acceptor for further improvement of the performance of semitransparent OSCs.

ACS Applied Energy Materials 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, Safety of 2-Bromo-3-(2-ethylhexyl)thiophene.

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

Kim, Na Young published the artcileEnhanced doping efficiency and thermoelectric performance of diketopyrrolopyrrole-based conjugated polymers with extended thiophene donors, Computed Properties of 303734-52-3, the publication is Journal of Materials Chemistry C: Materials for Optical and Electronic Devices (2021), 9(1), 340-347, database is CAplus.

The design of polymer backbones suitable for improving doping efficiency can provide a new direction in enhancing charge transport and thermoelec. performance. However, their optimizations are still unclear. Herein, the synthesis of a new diketopyrrolopyrrole (DPP)-based conjugated polymer with eight thiophene groups in a repeat unit, EHT6-20DPP, was reported for the improvement of thermoelec. properties. Compared to other DPP-based polymers with a different number of thiophene groups, EHT6-20DPP exhibits higher doping efficiency when doped with a p-type dopant, FeCl₃, owing to its higher number of thiophene groups as electron donating units. The optimum elec. conductivity and power factor of the doped EHT6-20DPP were found to be 93.28 S cm^-1 and 56.73μW m^-1 K^-2, which are higher than the reference DPP-based polymer with three thiophene groups in a repeat unit. The relationship between the thermoelec. properties is demonstrated using a charge transport model, suggesting that doped EHT6-20DPP has good charge transport properties in terms of polymer backbone engineering. The results of the present work could provide insights into the optimal polymer backbone design for excellent thermoelec. properties.

Journal of Materials Chemistry C: Materials for Optical and Electronic Devices 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, Computed Properties of 303734-52-3.

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

Lubman, David M. published the artcileMass spectrometry of aromatic molecules with resonance-enhanced multiphoton ionization, Quality Control of 52358-73-3, the publication is Analytical Chemistry (1982), 54(4), 660-5, database is CAplus.

The results of 2 classes of experiments with laser sources demonstrate the anal. potential of multiphoton-ionization mass spectroscopy. The 1st class of experiments demonstrates the effect of wavelength and power on the multiphoton ionization of mols. in effusive thermal beams. Valuable anal. features of such ionization processes are discussed for a variety of compounds which can be ionized by the absorption of 2 UV photons. The 2nd class of experiments demonstrates how the use of multiphoton ionization with a cooled supersonic beam can result in the very specific ionization of similar mols. Cooled mols. in supersonic beams have significantly different ionization spectra, making possible the identification of the components of interest.

Analytical Chemistry published new progress about 52358-73-3. 52358-73-3 belongs to bromides-buliding-blocks, auxiliary class Bromide,Naphthalene, name is 1,3-Dibromonaphthalene, and the molecular formula is C10H6Br2, Quality Control of 52358-73-3.

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

Kosmalski, Tomasz published the artcileNew heterocyclic oxime ethers of 1-(benzofuran-2-yl)ethan-1-one and their antimicrobial activity, Recommanded Product: 4-Bromo-1-(bromomethyl)-2-fluorobenzene, the publication is Acta Poloniae Pharmaceutica (2015), 72(2), 289-295, database is CAplus.

A series of benzofurans I (R = 4-CF₃, 4-Br-2-F, 2,6-F₂, etc.) were synthesized starting from 2-acetylbenzofuran. Antimicrobial activities of the compounds were examined and notable activity was observed

Acta Poloniae Pharmaceutica 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

Madar, D. J. published the artcileSynthesis of N-arylated oxazolidinones via a palladium catalyzed cross coupling reaction. Application to the synthesis of the antibacterial agent Dup-721, Safety of Methyl 2-(5-bromo-2-nitrophenyl)acetate, the publication is Tetrahedron Letters (2001), 42(22), 3681-3684, database is CAplus.

A method for the intermol. coupling of aryl bromides and oxazolidinones is described. Application to intermediates useful for the preparation of a known class of antibacterial agent and the synthesis of the known antibacterial oxazolidinone Dup-721 are described.

Tetrahedron Letters published new progress about 189748-25-2. 189748-25-2 belongs to bromides-buliding-blocks, auxiliary class Bromide,Nitro Compound,Benzene,Ester, name is Methyl 2-(5-bromo-2-nitrophenyl)acetate, and the molecular formula is C9H8BrNO4, Safety of Methyl 2-(5-bromo-2-nitrophenyl)acetate.

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

Zhang, Qiang published the artcileDesign and synthesis of benzyl aminocoumarin and its anti-Alzheimer′s activity, Formula: C7H5Br2F, the publication is New Journal of Chemistry (2021), 45(37), 17287-17300, database is CAplus.

Benzylaminocoumarin is a kind of compound with coumarin skeleton and benzylamino side chain structure at positions 3 and 4. Our group has previously explored the AD activity of 3-(4-aminophenyl) coumarin and obtained benzylaminocoumarin by further structural modification of benzamide side chains. A total of 29 benzylaminocoumarins were synthesized, and the compounds were tested for anti-AD-related activities, and compounds M3, M11, M21 and M26 were found to show good AChE inhibitory activity by in vitro activity experiments, with compound M11 (IC50 = 0.068 ± 0.04) showing better AChE inhibitory activity than the pos. drug donepezil (IC50 = 0.079 ± 0.008). The compound showed good MAO inhibitory activity against M3 and M11, of which compound M11 (IC50 = 6.312 ± 0.03) showed the best MAO-B inhibitory activity, but was weaker than the pos. drug donepezil (IC50 = 1.697 ± 0.01). The exptl. results showed that compounds M21 and M26 could selectively inhibit the AChE activity, and their probability of producing toxic side effects was low. Compound M11 shows dual AChE and MAO inhibitory activity and can be used as a potential therapeutic agent for the treatment of AD. In anti-AD multitarget drug research, multitarget inhibitors have low limitations and are able to produce better therapeutic effects on the entire disease system.

New Journal of 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 C9H22OSi, Formula: C7H5Br2F.

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

Ward, Simon E. published the artcileIntegration of Lead Optimization with Crystallography for a Membrane-Bound Ion Channel Target: Discovery of a New Class of AMPA Receptor Positive Allosteric Modulators, Synthetic Route of 76283-09-5, the publication is Journal of Medicinal Chemistry (2011), 54(1), 78-94, database is CAplus and MEDLINE.

A novel series of AMPAR pos. modulators is described that were identified by high throughput screening. The mols. of the series have been optimized from a high quality starting point hit to afford excellent developability, tolerability, and efficacy profiles, leading to identification of a clin. candidate. Unusually for an ion channel target, this optimization was integrated with regular generation of ligand-bound crystal structures and uncovered a novel chemotype with a unique and highly conserved mode of interaction via a trifluoromethyl group.

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 C14H10O4S2, Synthetic Route of 76283-09-5.

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