Month: December 2022

Xu, Biping published the artcileA Tandem Dehydrogenation-Driven Cross-Coupling between Cyclohexanones and Primary Amines for Construction of Benzoxazoles, HPLC of Formula: 6850-57-3, the publication is Angewandte Chemie, International Edition (2022), 61(30), e202203365, database is CAplus and MEDLINE.

Herein, authors report a transition metal-free, operationally simple, general method for straightforward syntheses of 2-substituted benzoxazoles from readily available cyclohexanones and aliphatic primary amines by an imine α-oxygenation-initiated cascade reaction sequence. The key to achieving high selectivity and excellent functional-group tolerance is the use of TEMPO as a mild oxidant that selectively oxidizes the reaction intermediates through its multiple reactivity modes, thus facilitating the individual steps to proceed in succession. More than 70 substrate combinations are disclosed, demonstrating the reliability of this protocol to synthesize structurally diverse products, including marketed drugs, drug candidate, and natural products that are unattainable by the existing methods.

Angewandte Chemie, International Edition published new progress about 6850-57-3. 6850-57-3 belongs to ethers-buliding-blocks, auxiliary class Amine,Benzene,Ether, name is (2-Methoxyphenyl)methanamine, and the molecular formula is C10H9ClN2O, HPLC of Formula: 6850-57-3.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Dhami, Kewal S. published the artcileCarbon-13 N.M.R. studies. VIII. 13C spectra of some substituted anisoles, Computed Properties of 2944-47-0, the publication is Canadian Journal of Chemistry (1966), 44(23), 2855-66, database is CAplus.

The 13C N.M.R. spectra of a series of 40 substituted anisoles were obtained to investigate the effects of substitution on the aromatic and methoxyl carbon shieldings. This work extends our studies on the variations of chem. shifts of C nuclei in side chains of aryl derivatives The question of steric hindrance to conjugative interaction of a methoxyl group with an aromatic ring is considered on the basis of the present results. Evidence of a steric effect in compounds in which both ortho positions are substituted is presented. 18 references.

Canadian Journal of Chemistry published new progress about 2944-47-0. 2944-47-0 belongs to ethers-buliding-blocks, auxiliary class Benzene,Ether, name is 2-Isopropylanisole, and the molecular formula is C10H14O, Computed Properties of 2944-47-0.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Mierina, Inese published the artcileA green and effective route leading to antiradical agents with 3-arylmethyl 4-hydroxyquinolin-2(1H)-one moiety, Category: ethers-buliding-blocks, the publication is Tetrahedron Letters (2022), 153847, database is CAplus.

A new, green, convenient, cost- and atom effective route leading to 3-arylmethyl 4-hydroxyquinolin-2(1H)-ones from arylaldehydes and 1,3-dicarbonyl compounds in tri-Et ammonium formate in good to excellent yield was presented. The provided method foresaw the Knoevenagel condensation between a 4-hydroxyquinolin-2(1H)-one and an aromatic aldehyde followed by in-situ trapping of the arylidene intermediate with the hydride ion. All synthesized compounds were tested for their antiradical activity against DPPH and GO free radicals. The antiradical activity of the 3-arylmethyl 4-hydroxyquinolin-2(1H)-ones was comparable to or even higher than that of some com. widely used antioxidants like BHT, TBHQ, or α-tocopherol.

Tetrahedron Letters published new progress about 134-96-3. 134-96-3 belongs to ethers-buliding-blocks, auxiliary class Immunology/Inflammation,COX,Natural product, name is 4-Hydroxy-3,5-dimethoxybenzaldehyde, and the molecular formula is C9H10O4, Category: ethers-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Bruzik, K. published the artcileThiono-thiolo rearrangement and solvolysis of the secondary alkyl phosphorothionates. 3, Synthetic Route of 2944-47-0, the publication is Journal of Organic Chemistry (1981), 46(8), 1618-24, database is CAplus.

The protic acid-catalyzed thiono-thiolo (O→S) migration of secondary alkyl groups R in title esters I occurs in a complex fashion. Anal. of product distribution, stereochem., and D-incorporation experiments supports an ion pair-type intermediate (e.g., II.CF₃CO₂^–R⁺) as being responsible for the entire process. Nucleophilic attack by I on the ion pair initiates the chain reaction leading to III. In CF₃CO₂H, inversion of configuration (96%) at the C atom of the migrating EtCHMe group was observed A high concentration of I promotes this mode of rearrangement. However, the overall stereospecificity of EtCHMe migration is much lower, owing to an elimination process leading to the dialkyl H phosphorothioate II and an intermediate olefin which after protonation in acidic medium returns to the ion pair. The latter process is responsible for the nonstereospecific formation of part of the rearrangement product III and contributes to the lower stereospecificity of the trifluoroacetolysis process. The role of the acidity of the medium is discussed.

Journal of Organic Chemistry published new progress about 2944-47-0. 2944-47-0 belongs to ethers-buliding-blocks, auxiliary class Benzene,Ether, name is 2-Isopropylanisole, and the molecular formula is C10H14O, Synthetic Route of 2944-47-0.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Auersvald, Milos published the artcileElectrometric bromine number as a suitable method for the quantitative determination of phenols and olefins in hydrotreated pyrolysis bio-oils, Application of 2-Methoxynaphthalene, the publication is Talanta (2021), 122001, database is CAplus and MEDLINE.

Bio-oils after hydrotreatment can still contain significant amount of phenols and cyclic olefins as the products of an incomplete deoxygenation. The removal of these compounds would be necessary to produce suitable components for automotive fuels. However, no routine method currently exists for the reliable determination of these groups in hydrotreated bio-oils (HBOs). In this paper, we analyzed 140 different pure oxygenates as model compounds using the bromine number method (ASTM D1159) observing that most compounds present in HBOs react with one equivalent of bromine. The determination of phenols using bromine number method in crude bio-oil is complicated especially by the presence of guaiacols and syringols that react with more than one equivalent of bromine and, thus, the obtained result is significantly overestimated. Further we optimized the chromatog. separation of hydrocarbons from HBOs for the selective determination of olefins content. As no other reactive compounds under the conditions of the method, besides phenols and olefins, were observed in HBOs, the difference between HBO bromine number (before hydrocarbons separation) and olefins content correspond to the total amount of phenols. The method was finally applied to 11 HBOs with different content of oxygen, providing a good correlation between phenols and oxygen content.

Talanta published new progress about 93-04-9. 93-04-9 belongs to ethers-buliding-blocks, auxiliary class Naphthalene,Ether, name is 2-Methoxynaphthalene, and the molecular formula is C11H10O, Application of 2-Methoxynaphthalene.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Vracko, M. published the artcileComparison of predictions of developmental toxicity for compounds of solvent data set, Safety of 2-Methoxypropan-1-ol, the publication is SAR and QSAR in Environmental Research (2022), 33(1), 35-48, database is CAplus and MEDLINE.

We have considered a series of 235 compounds tech. classified as solvents. Chem., they belong to different classes. Their potential developmental toxicity was evaluated using two models available on platform VEGA HUB; model CAESAR and the Developmental/ Reproductive Toxicity library (PG) model. Models provide beside the prediction of developmental toxicity addnl. information on similar compounds from models training sets. In the report, first, we compare the predictions. Second, the sets of similar compounds have been used to implement the clustering scheme. The Kohonen artificial neural network method has been applied as a clustering method. The clusters obtained have been discussed for both models.

SAR and QSAR in Environmental Research published new progress about 1589-47-5. 1589-47-5 belongs to ethers-buliding-blocks, auxiliary class Aliphatic hydrocarbon chain,Alcohol,Ether, name is 2-Methoxypropan-1-ol, and the molecular formula is C8H5F3N4, Safety of 2-Methoxypropan-1-ol.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Tal-Gan, Yftah published the artcileN-Methyl and peptoid scans of an autoinducing peptide reveal new structural features required for inhibition and activation of AgrC quorum sensing receptors in Staphylococcus aureus, COA of Formula: C25H23NO4, the publication is Chemical Communications (Cambridge, United Kingdom) (2014), 50(23), 3000-3003, database is CAplus and MEDLINE.

We report the first N-Me and peptoid residue scans of a full-length autoinducing peptide (AIP), AIP-III, used by Staphylococcus aureus for quorum sensing (QS). Biol. evaluation of these AIP-III analogs uncovered new features of the AIP-III scaffold that can be tuned to develop chem. probes of QS in all four groups of S. aureus (I-IV).

Chemical Communications (Cambridge, United Kingdom) published new progress about 77128-73-5. 77128-73-5 belongs to ethers-buliding-blocks, auxiliary class Inhibitor, name is (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-3-phenylpropanoic acid, and the molecular formula is C4H11NO, COA of Formula: C25H23NO4.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Kreutzer, Adam G. published the artcileA Hexamer of a Peptide Derived from Aβ_16-36, Related Products of ethers-buliding-blocks, the publication is Biochemistry (2017), 56(45), 6061-6071, database is CAplus and MEDLINE.

The absence of high-resolution structures of amyloid oligomers constitutes a major gap in our understanding of amyloid diseases. Increasing evidence indicates that oligomers of the β-amyloid peptide Aβ are especially important in the progression of Alzheimer’s disease. In many Aβ oligomers, the Aβ monomer components are thought to adopt a β-hairpin conformation. This paper describes the design and study of a macrocyclic β-hairpin peptide derived from Aβ16-36. SDS-PAGE and size exclusion chromatog. studies show that the Aβ16-36 β-hairpin peptide assembles in solution to form hexamers, trimers, and dimers. X-ray crystallog. reveals that the peptide assembles to form a hexamer in the crystal state and that the hexamer is composed of dimers and trimers. LDH release assays show that the oligomers formed by the Aβ16-36 β-hairpin peptide are toxic toward neuronally derived SH-SY5Y cells. Replica-exchange mol. dynamics (REMD) demonstrates that the hexamer can accommodate full-length Aβ. These findings expand our understanding of the structure, solution-phase behavior, and biol. activity of Aβ oligomers, and may offer insights into the mol. basis of Alzheimer’s disease.

Biochemistry published new progress about 77128-73-5. 77128-73-5 belongs to ethers-buliding-blocks, auxiliary class Inhibitor, name is (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-3-phenylpropanoic acid, and the molecular formula is C25H23NO4, Related Products of ethers-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Amaro, Ana L. published the artcileMultitrait analysis of fresh-cut cantaloupe melon enables discrimination between storage times and temperatures and identifies potential markers for quality assessments, Application In Synthesis of 2944-47-0, the publication is Food Chemistry (2018), 222-231, database is CAplus and MEDLINE.

Fresh-cut cantaloupe melon is valued for its aroma but is highly perishable. Temperature of storage (typically 0-5 °C) is critical for maintaining fresh-cut melon quality, but often reaches 10 °C during transportation and in retail outlets. A comparison amongst 0, 5 and 10 °C storage temperatures for fresh-cut melon over 14 days reveals that storage at 0 °C is optimal for avoiding increases in microbial load and loss of vitamin C especially at later time points. However, higher temperatures maintain better the balance of esters (acetate vs. non-acetate) and phenolic content. The whole volatile organic compound (VOC) profile can be used to discriminate both time and temperature effects especially at earlier time points. Potential VOC markers for changes in vitamin C from day 0 to day 6 of storage (3-Me butane nitrile) and temperature (limonene) are identified through a multi-trait anal.

Food Chemistry published new progress about 2944-47-0. 2944-47-0 belongs to ethers-buliding-blocks, auxiliary class Benzene,Ether, name is 2-Isopropylanisole, and the molecular formula is C10H14O, Application In Synthesis of 2944-47-0.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Jirousek, Ludek published the artcilePositive iodine compounds as models of the thyroidal active iodine. Reaction of N-iodosuccinimide and of N-iodophthalimide with thiocarbamide goitrogens, Category: ethers-buliding-blocks, the publication is Journal of Pharmacology and Experimental Therapeutics (1974), 191(2), 341-8, database is CAplus and MEDLINE.

N-iodosuccinimide (I) [516-12-1] and N-iodophthalimide (II) [20919-42-0] reacted with 37 goitrogenic thiocarbamides in dimethyl sulfoxide to form thiocarbamide sulfenyl iodide derivatives as reaction intermediates; nongoitrogenic carbamides and other chem. analogs were unreactive. Structural studies indicated an influence of mesomerisms in the thiocarbamides on the overall reaction pathway. Some potent goitrogens were not oxidized beyond the disulfide stage. Behavior of the N-iodoimides imitates that of thyroidal active iodine more closely than I2 does, suggesting that trapping of pos. iodine is more important than the possible subsequent redox reactions in the mechanism of drug goitrogenicity.

Journal of Pharmacology and Experimental Therapeutics published new progress about 14807-75-1. 14807-75-1 belongs to ethers-buliding-blocks, auxiliary class Salt,Thiourea,Amine,Aliphatic hydrocarbon chain, name is Formamidine disulfide dihydrochloride, and the molecular formula is C2H8Cl2N4S2, Category: ethers-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem