Month: November 2022

Ocak, Hale published the artcileTwist grain boundary (TGB) states of chiral liquid crystalline bent-core mesogens, Quality Control of 50670-76-3, the publication is Chemical Communications (Cambridge, United Kingdom) (2015), 51(35), 7512-7515, database is CAplus and MEDLINE.

4-Cyanoresorcinol derived bent-core mols. with a chiral (S)-2-methylbutoxy chain form liquid crystalline phases with TGBA- and TGBC-like structures at the transition from cybotactic nematic via SmA to SmC phases.

Chemical Communications (Cambridge, United Kingdom) published new progress about 50670-76-3. 50670-76-3 belongs to esters-buliding-blocks, auxiliary class Benzene,Phenol,Ester, name is Ethyl 4′-hydroxy-[1,1′-biphenyl]-4-carboxylate, and the molecular formula is C15H14O3, Quality Control of 50670-76-3.

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

Ocak, Hale published the artcileEffects of chain branching and chirality on liquid crystalline phases of bent-core molecules: blue phases, de Vries transitions and switching of diastereomeric states, Name: Ethyl 4′-hydroxy-[1,1′-biphenyl]-4-carboxylate, the publication is Soft Matter (2011), 7(18), 8266-8280, database is CAplus.

Bent-core mols. based on a resorcinol bis[benzoate] core with a series of distinct substituents in different positions at the central resorcinol core were synthesized and characterized. The focus is on the effect of branched terminal groups in the racemic and chiral forms on the mesomorphic properties. These were investigated by differential scanning calorimetry, optical polarizing microscopy, X-ray diffraction, electro-optic and dielec. methods. Only bent-core mesogens derived from 4-cyanoresorcinol exhibit liquid crystalline phases and the mesophases of these compounds are strongly influenced by the branching and enantiomeric composition of the terminal chains. Depending on the structure of the rod-like wings and the enantiomeric composition, cybotactic nematic phases (N_cybC), BPIII-like isotropic mesophases (BPIII_cybC*) and various polar and apolar smectic phases (SmA, SmC, SmC*, SmC_sP_A, SmC_sP_A*) are formed. For one compound, a de Vries type smectic phase is observed and it appears that with decreasing temperature, order develops in two steps. First, at the SmA to SmC transition, the tilt direction becomes long range ordered and in a second step a long range ordering in bend direction takes place. Hence, for the optically active compound a transition from chirality induced polar switching to bend induced (shape induced) antiferroelectricity takes place. In this SmC_sP_A* phase a homogeneous layer chirality is induced under an applied elec. field which interacts with the fixed mol. chirality leading to the energetically favored diastereomeric state and giving rise to a field direction dependent uniform tilt director orientation. Field reversal induces a flipping of the layer chirality, which first leads to the less favorable diastereomeric state, and then this slowly relaxes to the more stable one by a spontaneous reversal of the tilt direction. The target compounds thus formed included resorcinol derivatives of racemic 4-(2-methylbutoxy)benzoic acid 4-carboxyphenyl ester, chiral 4-[(2S)-2-methylbutoxy]benzoic acid 4-carboxyphenyl ester, chiral 4-[[(3S)-3,7-dimethyloctyl]oxy]benzoic acid 4-carboxyphenyl ester and racemic [(3,7-dimethyloctyl)oxy]benzoic acid 4-carboxyphenyl ester, etc.

Soft Matter published new progress about 50670-76-3. 50670-76-3 belongs to esters-buliding-blocks, auxiliary class Benzene,Phenol,Ester, name is Ethyl 4′-hydroxy-[1,1′-biphenyl]-4-carboxylate, and the molecular formula is C15H14O3, Name: Ethyl 4′-hydroxy-[1,1′-biphenyl]-4-carboxylate.

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

Li, Junchen published the artcileMicrowave-Assisted Pd-Catalyzed Desulfitative C-S Coupling of Arylsulfinate Metal Salts and Alkanethiols, Recommanded Product: Ethyl 2-mercaptopropanoate, the publication is Phosphorus, Sulfur and Silicon and the Related Elements (2014), 189(12), 1873-1881, database is CAplus.

This paper reports a palladium-catalyzed C-S coupling of arylsulfinate metal salts and alkanethiols via liberation of sulfur dioxide. The use of PdCl₂ as the catalyst in combination with AgNO₃ as the oxidant under microwave irradiation results in synthetically and biol. important aryl alkyl sulfides. A variety of arylsulfinate metal salts, such as sodium, potassium, lithium, silver, zinc, and copper salts, are tolerated well in this reaction.

Phosphorus, Sulfur and Silicon and the Related Elements published new progress about 19788-49-9. 19788-49-9 belongs to esters-buliding-blocks, auxiliary class Thiol,Aliphatic hydrocarbon chain,Ester, name is Ethyl 2-mercaptopropanoate, and the molecular formula is C5H10O2S, Recommanded Product: Ethyl 2-mercaptopropanoate.

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

Murugesan, Kathiravan published the artcileNickel-catalyzed stereodivergent synthesis of E- and Z-alkenes by hydrogenation of alkynes, Formula: C22H23BO4, the publication is ChemSusChem (2019), 12(14), 3363-3369, database is CAplus and MEDLINE.

A convenient protocol for stereodivergent hydrogenation of alkynes to E- and Z-alkenes R¹CH=CHR² [R¹ = Ph, 4-ClC₆H₄, 4-BrC₆H₄, etc.; R² = Et, 4-EtC₆H₄, 4-H₂NC₆H₄, etc.; stereo = E, Z] by using nickel catalysts was developed. Simple Ni(NO₃)₂·6H₂O as a catalyst precursor formed active nanoparticles, which were effective for the semihydrogenation of several alkynes with high selectivity for the Z-alkene (Z/>99:1). Upon addition of specific multidentate ligands (triphos, tetraphos), the resulting mol. catalysts were highly selective for the E-alkene products (E/Z>99:1). Mechanistic studies revealed that the Z-alkene-selective catalyst was heterogeneous whereas the E-alkene-selective catalyst was homogeneous. In the latter case, the alkyne was first hydrogenated to a Z-alkene, which was subsequently isomerized to the E-alkene. This proposal was supported by d. functional theory calculations

ChemSusChem published new progress about 1448637-05-5. 1448637-05-5 belongs to esters-buliding-blocks, auxiliary class Alkynyl,Boronic acid and ester,Benzene,Ester,Boronate Esters,Boronic Acids,Boronic acid and ester,, name is Methyl 4-((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethynyl)benzoate, and the molecular formula is C22H23BO4, Formula: C22H23BO4.

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

Nandurkar, Nitin S. published the artcileSynthesis of sterically hindered 1,3-diketones, Recommanded Product: Ethyltert-butylacetate, the publication is Synthetic Communications (2007), 37(23), 4111-4115, database is CAplus.

An efficient and practical method for the synthesis of sterically hindered aliphatic/aromatic 1,3-diketones via coupling of ketones with esters using potassium tert-butoxide was described. The protocol requires milder operating conditions, and the products were obtained in good to excellent yields.

Synthetic Communications published new progress about 5340-78-3. 5340-78-3 belongs to esters-buliding-blocks, auxiliary class Aliphatic Chain, name is Ethyltert-butylacetate, and the molecular formula is C8H16O2, Recommanded Product: Ethyltert-butylacetate.

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

Perkovic, Ivana published the artcileItaconic acid hybrids as potential anticancer agents, COA of Formula: C6H8O4, the publication is Molecular Diversity (2022), 26(1), 1-14, database is CAplus and MEDLINE.

In this paper, we report the synthesis of novel hybrids 2-14 based on itaconic acid and fluoroaniline, pyridine, indole and quinoline scaffolds. Itaconic acid is a naturally occurring compound with a Michael acceptor moiety, a key structural feature in several anticancer and antiviral drugs, responsible for the covalent binding of a drug to the cysteine residue of a specific protein. Aromatic parts of the hybrids also come from the substances reported as anticancer or antiviral agents. The synthetic route employed to access the amido-ester hybrids 2-13 used monomethyl itaconate or monomethyl itaconyl chloride and corresponding amines as the starting materials. Dimers 14 and 15 with two aminoindole or mefloquine moieties were prepared from itaconic acid and corresponding amino derivative, using standard coupling conditions (HATU/DIEA). All hybrids exerted anticancer effects in vitro against almost all the tumor cell lines that were evaluated (MCF-7, HCT 116, H460, LN-229, Capan-1, DND-41, HL-60, K-562, Z-138). Solid tumor cells were, in general, more responsive than the haematol. cancer cells. The MCF-7 breast adenocarcinoma cell line appeared the most sensitive. Amido-ester 12 with chloroquine core and mefloquine homodimer 15 showed the highest activity with GI50 values between 0.7 and 8.6 μM. In addition, compound 15 also exerted antiviral activity against Zika virus and Coxsackievirus B4 in low micromolar concentrations

Molecular Diversity published new progress about 624-49-7. 624-49-7 belongs to esters-buliding-blocks, auxiliary class Inhibitor,Natural product, name is Dimethyl fumarate, and the molecular formula is C6H8O4, COA of Formula: C6H8O4.

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

Kirk, Ralph published the artcileNovel C-7 carbon substituted fourth generation fluoroquinolones targeting N. Gonorrhoeae infections, Related Products of esters-buliding-blocks, the publication is Bioorganic & Medicinal Chemistry Letters (2020), 30(20), 127428, database is CAplus and MEDLINE.

Delafloxacin, a fourth-generation anionic fluoroquinolone (FQ) was approved in 2019 for community acquired bacterial pneumonia (CARP). It has broad spectrum activity and an improved class-related toxicity profile. However, it has recently failed a Phase 3 clin. trial for treatment of N. gonorrhoeae infections due to the lack of sufficient efficacy at the dose administered. Inspired by the microbiol. and safety profile of delafloxacin, we have developed and profiled the first reported delafloxacin carbon analog whereby a Nitrogen-for-Carbon swap has been successfully carried out at the C7 position. Not only have we shown that compounds with this modification maintain activity against N. gonorrhoeae (plus other gram-pos. and gram-neg. bacteria) but they also demonstrate a differentiated physicochem. profile. A zwitterionic derivative of delafloxacin was also profiled and demonstrated a superior microbiol. profile against gram-neg. strains, while maintaining favorable selected ADMET properties.

Bioorganic & Medicinal Chemistry Letters published new progress about 924-99-2. 924-99-2 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Amine,Aliphatic hydrocarbon chain,Ester, name is Ethyl 3-(dimethylamino)acrylate, and the molecular formula is C7H13NO2, Related Products of esters-buliding-blocks.

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

Mariottini, Alice published the artcileEffect of disease-modifying treatments on antibody-mediated response to anti-COVID19 vaccination in people with multiple sclerosis, SDS of cas: 624-49-7, the publication is Journal of Neurology (2022), 269(6), 2840-2847, database is CAplus and MEDLINE.

Few data are available so far on the antibody-mediated immune response to anti-SARS-Cov2 vaccination in people with multiple sclerosis (pwMS) treated with disease-modifying treatments (DMTs), therefore this issue was explored in a real-life cohort of pwMS. Retrospective monocentric study on anti-spike protein antibody response in pwMS who had received vaccination for Sars-Cov2. Adverse events following vaccination were also recorded. One hundred and twenty pwMS were included: 83 females (69%); median age at vaccination 42 years (range 21-73); 112/120 patients (93%) were receiving DMTs at vaccination. Anti-spike protein IgG antibodies were detectable in 102/120 (85%) cases overall, being the proportion lower in pwMS receiving anti-CD20 antibodies (14/31, 45%) compared to non-depletive treatments (77/78, 99%), p < 0.0001. Median anti-spike titer was lower in anti-CD20 antibodies and fingolimod-treated pwMS compared to those receiving other DMTs, and it correlated with anti-CD20 treatment duration (R – 0.93, p < 0.0001) and with age at vaccination in pwMS not receiving depletive treatments (R – 0.25, p = 0.028). Baseline CD19+ cell count (where available) was higher in the responder group than in non-responders, p < 0.0001. Two symptomatic COVID-19 infections were diagnosed over a median follow-up of 5 mo (range 2-7); adverse events were aligned with the published literature. Antibody response to anti-COVID-19 vaccines was detected in most of the pwMS analyzed, but frequency of responders was reduced in those receiving CD20 depleting therapies compared to other DMTs-treated pwMS. Investigations on cell-mediated immune response are needed to assess whether a protective immune response is elicited also in non-antibody responders.

Journal of Neurology published new progress about 624-49-7. 624-49-7 belongs to esters-buliding-blocks, auxiliary class Inhibitor,Natural product, name is Dimethyl fumarate, and the molecular formula is C6H8O4, SDS of cas: 624-49-7.

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

Han, X. published the artcileSuper/subcritical fluid chromatography separations with four synthetic polymeric chiral stationary phases, Related Products of esters-buliding-blocks, the publication is Chromatographia (2007), 65(7/8), 381-400, database is CAplus.

New synthetic polymeric chiral selectors were developed recently as chiral stationary phases. They were tested with supercritical fluid mobile phases made of CO₂ plus an alc. modifier and 0.2% volume/volume trifluoroacetic acid. The polymeric N,N’-(1S,2S)-1,2-cyclohexanediyl-bis-2-propenamide (P-CAP), the polymeric N,N’-[(1R,2R)-1,2-diphenyl-1,2-ethanediyl] bis-2-propenamide (P-CAP-DP), the polymeric trans-9,10-dihydro-9,10-ethanoanthracene-(11S,12S)-11,12-dicarboxylic acid bis-4-vinylphenylamide (DEABV) and the polymeric N,N’-[(1R,2R)-1,2-diphenyl-1,2-ethanediyl] bis-4-vinylbenzamide (DPEVB) were bonded to 5 μm silica particles and used to prepare four columns that were tested with a set of 88 chiral compounds with a wide variety of chem. functionalities. All 88 test compounds were separated on one or more of these related polymeric CSPs. Forty-three enantiomeric pairs were separated in SFC conditions by only one of the CSPs. Twenty pairs were separated by two CSPs and 18 and 7 enantiomeric pairs were separated by 3 and all 4 CSPs, resp. The three P-CAP, P-CAP-DP and DEABV CSPs have equivalent success being able to sep. 49 enantiomeric pairs of the studied set with resp. 12, 14 and 20 at baseline (R_s > 1.5). The DPEVB CSP was significantly less efficient separating only 18 chiral compounds with only one at baseline. The great advantage of the SFC mobile phases is the rapid separation, which most achieved in <5 min.

Chromatographia published new progress about 126613-06-7. 126613-06-7 belongs to esters-buliding-blocks, auxiliary class Chiral Diphenols, name is (R)-[1,1′-Binaphthalene]-2,2′-diyl bis(trifluoromethanesulfonate), and the molecular formula is C22H12F6O6S2, Related Products of esters-buliding-blocks.

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

Warner, Christopher J. A. published the artcileEvaluation of bifunctional chiral phosphine oxide catalysts for the asymmetric hydrosilylation of ketimines, Name: (R)-[1,1′-Binaphthalene]-2,2′-diyl bis(trifluoromethanesulfonate), the publication is Tetrahedron (2019), 75(50), 130733, database is CAplus.

A series of hydroxy-functionalized bifunctional phosphine oxides and diphosphine dioxides have been prepared and evaluated as catalysts for the trichlorosilane mediated asym. hydrosilylation of ketimines. Bis-Phosphine oxides, hydroxy-phosphine oxides, and biaryl phosphine oxides all demonstrated good catalytic activity, but poor to moderate enantioselectivity. A bis-P-chiral phosphine oxide (R,R)-Ph(2-MeOC₆H₄)P(CH₂)₆PPh(2-MeOC₆H₄) (32) displayed the highest enantioselectivity of 60%.

Tetrahedron published new progress about 126613-06-7. 126613-06-7 belongs to esters-buliding-blocks, auxiliary class Chiral Diphenols, name is (R)-[1,1′-Binaphthalene]-2,2′-diyl bis(trifluoromethanesulfonate), and the molecular formula is C13H14N2O, Name: (R)-[1,1′-Binaphthalene]-2,2′-diyl bis(trifluoromethanesulfonate).

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