Month: December 2022

Vu, Cuong M. published the artcileRecyclable CuFe₂O₄ for the synthesis of 2,3-disubstituted indoles, Related Products of esters-buliding-blocks, the publication is Tetrahedron Letters (2020), 61(50), 152629, database is CAplus.

A method for the CuFe₂O₄-catalyzed coupling of 2-iodo- or 2-bromoanilines 2-X-RC₆H₃NH₂ (R = H, 4-trifluoromethoxy, 5-trifluoromethyl, etc.; X = I or Br) and acetylacetone or isosteric 1,3-diketones R¹C(O)CH₂C(O)R² (R¹ = Me, ethyl; R² = ethoxy, methoxy) to afford 2,3-disubstituted indoles I (R³ = H, 5-bromo, 6-Me, etc.) has been developed. The superparamagnetic material showed superior activity in comparison to other ferrites or copper-based metal-organic frameworks. Functionalities including ester, cyano, and halogen groups were compatible with the reaction conditions. The CuFe₂O₄ catalyst was easily recoverable and reusable and offers a convenient pathway to afford synthetically useful heterocycles.

Tetrahedron Letters published new progress about 30414-53-0. 30414-53-0 belongs to esters-buliding-blocks, auxiliary class Aliphatic hydrocarbon chain,Ketone,Ester, name is Methyl 3-oxovalerate, and the molecular formula is C9H10O3S, Related Products of esters-buliding-blocks.

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

Ziao, Nahosse published the artcileAmino nitrogen and carbonyl oxygen in competitive situations: which is the best hydrogen-bond acceptor site?, Product Details of C7H13NO2, the publication is CrystEngComm (2002), 326-335, database is CAplus.

The relative H-bond acceptor abilities of amino N and carbonyl O in various chem. environments were studied using data retrieved from the Cambridge Structural Database (CSD) and via ab initio MO calculations Surveys of the CSD for H bonds between HX (X = N, O) donors and push-pull or saturated amino ketone and amino ester mol. fragments show that the H bonds are much more frequent on the O than on the amino N. In the push-pull families, the H-bonding (HB) ability of the carbonyl O is increased by conjugation between the lone pair of the amino substituent and the C=O group, a behavior similar to resonance-assisted H bonding. The unexpected behavior of twisted amides, in which only the amino N is involved in H bonding, is pointed out. This unusual feature is explained by the disruption of conjugation between the amino lone pair and the carbonyl owing to the cyclization involving the amino moiety. In aliphatic systems, the amino N retains its HB ability but is still involved in a rather low number of contacts. This behavior reflects the sensitivity of the amino N to steric hindrance. The relative strengths of the H bonds on the carbonyl O in ketones and esters follow the exptl. order of H-bond basicity as observed in solution through the pK_HB scale. Ab initio MO calculations (B3LYP/6-31+G^** level) of electrostatic and charge transfer descriptors also confirm the exptl. observations. pK_a.

CrystEngComm 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 C16H24BF4Ir, Product Details of C7H13NO2.

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

Besseau, Francois published the artcileHydrogen-bond basicity of esters, lactones and carbonates, Product Details of C7H13NO2, the publication is Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999) (1994), 485-9, database is CAplus.

A thermodn. hydrogen-bond-basicity scale pK_HB (logarithm of the formation constant of 4-fluorophenol-base complexes in CCl₄) has been determined for esters, lactones and carbonates, and correlated to a spectroscopic basicity scale. In the esters R¹CO₂R² the hydrogen-bond basicity is decreased by bulky alkyl R¹ substituents (steric effect) but increased by branched and lengthened alkyl R² substituents (electronic effects). Quant. structure-basicity relationships have been established in the XCO₂Et (X varying from CF₃ to Me₂N) and XC₆H₄CO₂Et (X varying from 4-NO₂ to 4-Me₂N) series. Vinylol. strongly increases hydrogen-bond basicity: Me₂NCH:CHCO₂Et is the most basic ester presently known. Cyclization increases the hydrogen-bond basicity of esters and carbonates.

Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999) 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, Product Details of C7H13NO2.

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

Thiebaut, Benoit published the artcileApplication of headspace SPME-GC-MS in characterization of odorous volatile organic compounds emitted from magnetic tape coatings based on poly(urethane-ester) after natural and artificial ageing, Product Details of C20H40O2, the publication is Polymer Testing (2007), 26(2), 243-256, database is CAplus.

The aim of this study was to study the emission of volatile organic compounds (VOCs) in magnetic tapes after several decades of natural aging at room temperature Headspace solid-phase microextraction was used as a sample preparation technique and gas chromatog.-mass spectrometry was used to characterize the VOCs. Eight samples of polyester-based magnetic tapes having a magnetic coating made of a poly(urethane-ester) polymeric binder, various additives and magnetic particles were studied. The compounds identified in the samples were fatty acid ester lubricants, compounds from antioxidants such as 2,6-bis(1,1-dimethylethyl)-4-methyl-phenol, manufacturing byproducts such as cyclic polyester oligomers, and deterioration compounds from the magnetic coating. Homologous series of carboxylic acids, furanones and aldehydes were identified. The latter compounds were exclusively present in the magnetic coating and could be related to the odor intensity by odor sensory ranking testing. These compounds are most likely to be the source of the often reported characteristic smell.

Polymer Testing published new progress about 110-34-9. 110-34-9 belongs to esters-buliding-blocks, auxiliary class Aliphatic hydrocarbon chain,Ester, name is Isobutyl palmitate, and the molecular formula is C26H45N5O7Si2, Product Details of C20H40O2.

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

Kamma, Emily published the artcileCentral nervous system macrophages in progressive multiple sclerosis: relationship to neurodegeneration and therapeutics, Product Details of C6H8O4, the publication is Journal of Neuroinflammation (2022), 19(1), 45, database is CAplus and MEDLINE.

A review. There are over 15 disease-modifying drugs that have been approved over the last 20 years for the treatment of relapsing-remitting multiple sclerosis (MS), but there are limited treatment options available for progressive MS. The development of new drugs for the treatment of progressive MS remains challenging as the pathophysiol. of progressive MS is poorly understood. The progressive phase of MS is dominated by neurodegeneration and a heightened innate immune response with trapped immune cells behind a closed blood-brain barrier in the central nervous system. Here we review microglia and border-associated macrophages, which include perivascular, meningeal, and choroid plexus macrophages, during the progressive phase of MS. These cells are vital and are largely the basis to define lesion types in MS. We will review the evidence that reactive microglia and macrophages upregulate pro-inflammatory genes and downregulate homeostatic genes, that may promote neurodegeneration in progressive MS. We will also review the factors that regulate microglia and macrophage function during progressive MS, as well as potential toxic functions of these cells. Disease-modifying drugs that solely target microglia and macrophage in progressive MS are lacking. The recent treatment successes for progressive MS include include B-cell depletion therapies and sphingosine-1-phosphate receptor modulators. We will describe several therapies being evaluated as a potential treatment option for progressive MS, such as immunomodulatory therapies that can target myeloid cells or as a potential neuroprotective agent.

Journal of Neuroinflammation 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, Product Details of C6H8O4.

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

Burehardt, George Norman published the artcileArylsulfuric acids, Recommanded Product: Potassium 4-nitrophenyl sulfate, the publication is Journal of the Chemical Society (1926), 684-90, database is CAplus.

CISO₂H (34 g.) run into a mixture of 100 g. PhNEt₂ (or PhNMe₂) in 100 cc. CS₂ at not over 10° and then treated with 25 g. PhOH in 50 cc. CS₂ gives, after treatment with a mixture of NaOH and Ba(OH)₂, 90% of NaPhSO₄, the PhNEt₂ being readily recovered. If the base and PhOH are mixed before the ClSO₂H is added the yield never exceeds 60%. If 19 g. SO₃ in 80 cc. liquid SO₂ is added to 20 g. PhOH and 60 g. PhNEt₂ with cooling, there results 60% of NaPhSO₄. p-O₂NC₆H₄OH (30 g.) added to 25 g. SO₂ and 29 g. C₅H₅N in 200 cc. boiling C₆H₆ gives 90-4% K p-nitrophenyl sulfate. Eugenol gives 70% of the sulfate. o-O₂NC₆H₄OH reacts less readily and gives 25% of the sulfate with an equivalent amount of reagent, 56% with twice the theory. PhOH and PhNEt₂ give 80-5% KPhSO₄ with 1.5 mols. K₂S₂O₇, 90% with 2 mols. The alkali salts of arylsulfuric acids are stable at 100° in neutral aqueous solution and require heating to boiling before rapid hydrolysis sets in in the presence of mineral acids. The Ba salt is decomposed by heating to 100° in H₂O for 1.5 hrs., after which hydrolysis proceeds rapidly to completion in 2 hrs. The NH₄ and Mg salts are of intermediate stability. All the salts are stable at 100° in aqueous AcONa, even in the presence of a considerable amount of AcOH. Hydrolysis of the K salt is also brought about by heating at 150° with strong alkali or with half concentrated NH₄OH at 190-220° for 4 hrs. K phenyl sulfate, rhombohedral or 6-sided plates with apex angle 95°, solubility in EtOH at 17° 0.7%, in H₂O 14%. Na salt, rhombic plates with 3H₂O, solubility in EtOH at 17°, 7%, in H₂O 31%. Ba salt, fine granules, solubility in EtOH 15%. The solubility of K o-tolyl sulfate in H₂O at 17° is 22%, of the m-derivative, 9%; of the p-derivative, 10%. p-Toluidine tolyl sulfates are characteristic. The o-cresol salt, m. 125-7° (decomposition), the p-cresol salt, 149-51°. Oxidation of K m-tolyl sulfate with KMnO₄ gives 80% of K m-carboxyphenyl sulfate, plates, 3.2 parts dissolving in 100 parts H₂O at 17°. K α-naphthyl sulfate, long needles, soluble in 40 parts. H₂O at 17°; the β-salt crystallines with 4H₂O and dissolves in 70 parts H₂O at 17°. Their oxidation was studied but definite products were not isolated.

Journal of the Chemical Society published new progress about 6217-68-1. 6217-68-1 belongs to esters-buliding-blocks, auxiliary class Salt,Nitro Compound,Sulfonate,Benzene, name is Potassium 4-nitrophenyl sulfate, and the molecular formula is C6H4KNO6S, Recommanded Product: Potassium 4-nitrophenyl sulfate.

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

Gallagher-Duval, Shawn published the artcileFunctionalized Polyhydroquinolines from Amino Acids Using a Key One-Pot Cyclization Cascade and Application to the Synthesis of (±)-Δ⁷-Mesembrenone, HPLC of Formula: 251320-63-5, the publication is Organic Letters (2021), 23(21), 8606-8611, database is CAplus and MEDLINE.

Substituted polyhydroquinolines are ubiquitous skeletal cores found in drugs and bioactive natural products. As a new route to access this motif, we successfully developed a one-pot cyclization cascade with high chemocontrol and diastereoselectivity. The sequence generates two cycles, three carbon-carbon bonds, and an all-carbon quaternary center in a highly convergent process. Functionalized polyhydroquinolines and congeners can be accessed from com. available amino acids. This versatile and robust strategy was applied to the synthesis of (±)-Δ⁷-mesembrenone.

Organic Letters published new progress about 251320-63-5. 251320-63-5 belongs to esters-buliding-blocks, auxiliary class Aliphatic Chain, name is (S)-tert-Butyl (1-hydroxy-3-methylbutan-2-yl)(methyl)carbamate, and the molecular formula is C11H23NO3, HPLC of Formula: 251320-63-5.

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

Seidenkranz, Daniel T. published the artcileSingle-component, low molecular weight organic supergelators based on chiral barbiturate scaffolds, Name: (R)-[1,1′-Binaphthalene]-2,2′-diyl bis(trifluoromethanesulfonate), the publication is Supramolecular Chemistry (2019), 31(8), 499-507, database is CAplus.

We report here the first chiral barbiturate to act as a single-component LMOG capable of gelating a variety of chlorinated and aromatic solvents. Solution-based DOSY NMR experiments, solid-state VP-SEM, and X-ray crystallog. techniques were used to characterize chloroform-based gels at a variety of size domains. This scaffold provides a simple system to study the dynamics of gelation and self-assembly.

Supramolecular Chemistry 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 C16H12O, Name: (R)-[1,1′-Binaphthalene]-2,2′-diyl bis(trifluoromethanesulfonate).

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

Bendrath, Franziska published the artcileSynthesis and permethylation of methyl 5-(2-chloropyridin-3-yl)pentanoates, Product Details of C6H10O3, the publication is Chemistry of Heterocyclic Compounds (New York, NY, United States) (2021), 57(11), 1146-1148, database is CAplus.

Two Me 5-(2-chloropyridin-3-yl)pentanoates were prepared by condensation of 1,3-bis(silyloxy)-1,3-butadienes with 2-chloropyridine-3-carboxylic acid chloride. The permethylation of the products resulted in two completely different products, depending on the substitution pattern of the 1,3,5-tricarbonyl moiety.

Chemistry of Heterocyclic Compounds (New York, NY, United States) published new progress about 30414-53-0. 30414-53-0 belongs to esters-buliding-blocks, auxiliary class Aliphatic hydrocarbon chain,Ketone,Ester, name is Methyl 3-oxovalerate, and the molecular formula is C6H10O3, Product Details of C6H10O3.

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

Kaisarly, Dalia published the artcileEffects of application method on shrinkage vectors and volumetric shrinkage of bulk-fill composites in class-II restorations, Recommanded Product: Ethyl 4-dimethylaminobenzoate, the publication is Dental Materials (2022), 38(1), 79-93, database is CAplus and MEDLINE.

Upon initial proximal wall construction, the favorable C-factor of class-II cavities may become unfavorable. This study investigated the application method on bulk-fill resin composite polymerization shrinkage. Occluso-proximal class-II cavities were prepared in 40 molars and bonded with a self-etch adhesive (Adhese Universal). The study groups varied according to the resin composite application: group-1: bulk application, Tetric EvoCeram Bulk Fill (TBF); group-2: proximal wall construction (TBF) and occlusal cavity filling (TBF); group-3: thin flowable liner layer, Tetric EvoFlow Bulk Fill (TEF) and bulk filling (TBF); group-4: flowable liner (TEF), proximal wall (TBF), occlusal cavity (TBF); and group-5: bulk application, SDR (3 mm) and capping layer (TBF, 1 mm). Each resin composite increment was scanned twice using micro-CT (uncured, cured 40 s) at a resolution of 16μm. Shrinkage vectors and volumetric polymerization shrinkage were evaluated and statistically analyzed (one-way ANOVA). SEM images were used to investigate the tooth-restoration interface. Shrinkage vectors differed significantly among the groups and were greatest in gp5-fl/SDR (47.6μm), followed by gp1-TBF (23.8μm) and least in gp5-fl/SDR+TBF (11.1μm). Volumetric shrinkage varied significantly with the use of SDR (gp5-fl/SDR: 2.6%) and TEF (gp4-fl/TEF: 2.5%) to TBF (gp4-fl/TEF+wl/TBF: 0.6%) in the incremental application. Building a proximal resin composite wall yielded smaller shrinkage vectors than the bulk application. Applying a thin flowable liner decreased the shrinkage vectors, even more when building a proximal wall. A thin flowable liner is recommended when building a proximal resin composite wall.

Dental Materials published new progress about 10287-53-3. 10287-53-3 belongs to esters-buliding-blocks, auxiliary class Amine,Benzene,Ester, name is Ethyl 4-dimethylaminobenzoate, and the molecular formula is C11H15NO2, Recommanded Product: Ethyl 4-dimethylaminobenzoate.

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