Month: December 2022

DeSelm, Lizbeth published the artcileIdentification of Clinical Candidate M2698, a Dual p70S6K and Akt Inhibitor, for Treatment of PAM Pathway-Altered Cancers, Computed Properties of 6850-57-3, the publication is Journal of Medicinal Chemistry (2021), 64(19), 14603-14619, database is CAplus and MEDLINE.

The discovery of a novel class of quinazoline carboxamides such as I [R¹ = H, Me; R² = Ph, 3-FC₆H₄, 4-MeOC₆H₄, etc.] as dual p70S6k/Akt inhibitors for the treatment of tumors driven by alterations to the PI3K/Akt/mTOR (PAM) pathway was reported. Through the screening of inhouse proprietary kinase library, 4-benzylamino-quinazoline-8-carboxylic acid amide 1 stood out, with sub-micromolar p70S6k biochem. activity, as the starting point for a structurally enabled p70S6K/Akt dual inhibitor program that led to the discovery of M2698, a dual p70S6k/Akt inhibitor. Compound M2698 [II] is kinase selective, possesses favorable phys., chem., and DMPK profiles, was orally available and well tolerated, and displayed tumor control in multiple in vivo studies of PAM pathway-driven tumors.

Journal of Medicinal Chemistry 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 C8H11NO, Computed Properties of 6850-57-3.

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

Favre-Godal, Quentin published the artcileExtensive Phytochemical Assessment of Dendrobium fimbriatum Hook (Orchidaceae), Name: 4-Hydroxy-3,5-dimethoxybenzaldehyde, the publication is Natural Product Communications (2022), 17(3), 1934578X221074526, database is CAplus.

Dendrobium fimbriatum Hook is an important medicinal and ornamental orchid that may lead to important drugs and cosmetics. In this study, 2 anal. strategies were combined to describe the detailed composition of a hydroethanolic extract of the whole plant. The CARAMEL approach, based on centrifugal partition chromatog. and NMR data interpretation, allowed the rapid dereplication of 21 major constituents, mainly including polyols, nucleosides, zwitterionic compounds, phenolic compounds, and organic acids. Further semipreparative high-performance liquid chromatog. and spectroscopic analyses led to the isolation of 6 addnl. compounds; 4 phenanthrenes (plicatol B, hircinol, plicatol A, and plicatol C), 1 bibenzyl (3�4-dihydroxy-3,5�dimethoxybibenzyl), and 1 furostanol saponin (protodioscin), as well as a new phenanthrene derivative, plicatol D. A total of 28 metabolites were structurally elucidated, among which 23 are described for this species for the first time.

Natural Product Communications 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, Name: 4-Hydroxy-3,5-dimethoxybenzaldehyde.

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

Chen, Yujie published the artcilePalladium-Catalyzed Isoquinoline Synthesis by Tandem C-H Allylation and Oxidative Cyclization of Benzylamines with Allyl Acetate, Application In Synthesis of 6850-57-3, the publication is Organic Letters (2021), 23(11), 4209-4213, database is CAplus and MEDLINE.

A novel approach to synthesize 3-methylisoquinolines via a one-pot, two-step, palladium(II)-catalyzed tandem C-H allylation/intermol. amination and aromatization is reported. A wide series of 3-methylisoquinoline derivatives were obtained directly using this method in moderate to good yields, and authors highlight the synthetic importance of this new transformation.

Organic Letters 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 C8H11NO, Application In Synthesis of 6850-57-3.

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

Zheng, Ming published the artcileVisible-light-induced C-C bond cleavage of lignin model compounds with cyanobenziodoxolone, SDS of cas: 183303-74-4, the publication is Tetrahedron Letters (2020), 61(42), 152420, database is CAplus.

The catalytic degradation of lignin to value-added chems. has received considerable attention over the past decade. Photocatalysis provides promising approaches to enable previously inaccessible transformations. However, examples of the visible-light promoted degradation of lignin are still limited. In this work, the visible-light-induced selective C-C bond cleavage of β-O-4 lignin model compounds was disclosed via β-scission of in situ generated alkoxy radical intermediates. With cyanobenziodoxolone as the oxidant, a variety of substrates could be transformed into aldehydes in moderate to good yields. In addition, unexpected acetal esters which could conveniently furnish formaldehyde and phenols by alcoholysis were observed

Tetrahedron Letters published new progress about 183303-74-4. 183303-74-4 belongs to ethers-buliding-blocks, auxiliary class Benzene,Alcohol,Ether, name is 1-(3,4-Dimethoxyphenyl)-2-phenoxyethanol, and the molecular formula is C7H4ClIO2, SDS of cas: 183303-74-4.

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

Wu, Zhenyu published the artcileCovalent-organic frameworks with keto-enol tautomerism for efficient photocatalytic oxidative coupling of amines to imines under visible light, HPLC of Formula: 6850-57-3, the publication is Science China: Chemistry (2021), 64(12), 2169-2179, database is CAplus.

Photocatalytic oxidation of organic mols. into highly value-added products is an innovative and challenging research which has gradually attracted remarkable attention of scientists. In this work, it is demonstrated that the COF-TpPa with keto-enol tautomerism equilibrium structure shows excellent performance (yield>99% after 8 h) in the selective photocatalytic oxidative coupling of amines to imines under visible light irradiation It is revealed that three kinds of reactive oxygen species (superoxide radical, hydroxyl radical and singlet oxygen) participate in this photocatalytic oxidation reaction. In addition, hydrogen protons cleaved from the benzyl are proven to be reduced to hydrogen in the conduction band of COF-TpPa in anaerobic atm., accompanied with the formation of imines. The direct hydrogen evolution from amine provides an effective way to extract clean energy from organic mol. as well as the production of value-added chems. As a contrast, COF-LZU1 with similar structure and chem. composition to COF-TpPa but without keto-enol tautomerism exhibits worse optical properties and photocatalytic performance. It is also demonstrated that keto-enol tautomerism favors the adsorption of benzylamine based on the characterization results and theor. calculations

Science China: Chemistry 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 C7H7ClN2S, HPLC of Formula: 6850-57-3.

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

Yao, Xuting published the artcileDeactivated TS-1 as efficient catalyst for hydration of cyclohexene to cyclohexanol, Name: 2-Methoxypropan-1-ol, the publication is Huaxue Xuebao (2020), 78(10), 1111-1119, database is CAplus.

Cyclohexanol is an important chem. intermediate material. At present, ZSM-5 is mainly used as a catalyst in the industry to produce cyclohexanol by one-step hydration of cyclohexene. Its core is the development of high-performance catalysts. TS-1 is a high efficient catalyst for industrial liquid-phase ammoniation of cyclohexanone, which shows a typical Bronsted acidity after deactivation. Based on this, we applied the deactivated TS-1 as catalyst for cyclohexene hydration reaction, and investigated systematically the effects of reaction time, reaction temperature, catalyst dosage and mass ratio of water to oil on the hydration reaction of cyclohexene. The results showed that the deactivated TS-1 could offer a high catalytic performance with 11.0% yield and 99.8% selectivity towards cyclohexanol under the optimized reaction conditions, which indicated that the deactivated TS-1 is a high-performance catalyst and possesses the characteristics of high activity, high selectivity and high stability. Combined with nitric acid treating modification, potassium ion exchange experiment and the characterization techniques such as UV-Vis (UV-visible spectroscopy), FT-IR (Fourier transform IR spectrometer), ²⁹Si MAS NMR (²⁹Si magic angle solid NMR), and NH₃-TPD (temperature-programmed desorption of ammonia), it was found that the deactivated TS-1 possesses two kinds of BrΦnsted acid sites, whereas its real active center for the hydration reaction of cyclohexene is silanol group adjacent to titanium hydroxyl group (Si-OH(Ti)). The structure of this BrΦnsted acid site is completely different from the skeleton bridge BrΦnsted acid site (Si-(OH)-Al) of ZSM-5 zeolite, meanwhile shows relatively weak acid strength. The unique acid property of Si-OH(Ti) could promote the main reaction path of cyclohexanol formation and inhibit the side reaction path of cyclohexene isomerization in cyclohexene hydration reaction, which determined its characteristic of high cyclohexanol selectivity. The discovery and application of the special Bronsted acid site of the deactivated TS-1 waste catalyst can provide a new idea for resource utilization of solid waste resources of spent catalyst.

Huaxue Xuebao 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 C14H14, Name: 2-Methoxypropan-1-ol.

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

Wang, Kaijun published the artcileDifferent morphologies of SiO₂@Mg-Al-LDH nanocomposites as catalyst for the synthesis of propylene glycol methyl ether, COA of Formula: C4H10O2, the publication is Journal of Nanoparticle Research (2020), 22(5), 126, database is CAplus.

Layered double hydroxide (LDH) has been recognized as one type of the most promising shell material. In this contribution, SiO₂@Mg-Al-LDH core-shell nanocomposites with different shell morphologies were prepared and characterized via XRD, SEM, TEM, FT-IR, TG-DTA, and BET in detail. The as-prepared SiO2@LDHs exhibit different base catalysis for the synthesis of propylene glycol monomethyl ether (PGME). The results indicate that LDH shell oriented vertically on the core could be generated by the sol-gel method (SG-SiO₂@LDH) and displays the highest catalytic activity and stability among three materials. The horizontally oriented shell morphol. tends to be formed by the self-assembly method (SA-SiO₂@LDH), which maintains the original LDH structure but unstable. The formation of a third morphol. called mixed platelet is contributed to the coexistence of horizontally and vertically platelets. It has been seen in the case of co-precipitation (CP-SiO₂@LDH). Integrating the exptl. result anal., synthesis methods can significantly influence the nucleation rate, which would fabricate different shell morphologies. Furthermore, core-shell nanomaterials with special morphol. may have certain application prospects in solid catalysis.

Journal of Nanoparticle 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 C6H10F3NO, COA of Formula: C4H10O2.

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

Percec, Virgil published the artcileSelf-organization of rectangular bipyramidal helical columns by supramolecular orientational memory epitaxially nucleated from a Frank-Kasper σ phase, Product Details of C8H10O2, the publication is Giant (2022), 100084, database is CAplus.

Programming living and soft complex matter via primary structure and self-organization represents the key methodol. employed to design functions in biol. and synthetic nanoscience. Memory effects have been used to create com. technologies including liquid crystal displays and biomedical applications based on shape memory polymers. Supramol. orientational memory (SOM), induced by an epitaxial nucleation mediated by the close contact spheres of cubic phases, emerged as a pathway to engineer complex nanoscale soft matter of helical columnar hexagonal arrays. SOM preserves the crystallog. directions of close contact supramol. spheres from the 3D phase upon cooling to the columnar hexagonal periodic array. Despite the diversity of 3D periodic and quasiperiodic nanoarrays of supramol. dendrimers, including Frank-Kasper and quasicrystal, all examples of SOM to date were mediated by Im3m (body-centered cubic, BCC) and Pm3n (Frank-Kasper A15) cubic phases. Expanding the scope of SOM to non-cubic arrays is expected to generate addnl. morphologies that were not yet available by any other methods. Here we demonstrate the SOM of a dendronized triphenylene that self-organizes into helical columnar hexagonal and tetragonal P4₂/mnm (Frank-Kasper σ) phases. Structural anal. of oriented fibers by X-ray diffraction reveals that helical columnar hexagonal domains self-organize an unusual rectangular bipyramidal morphol. upon cooling from the σ phase. The discovery of SOM in a non-cubic Frank-Kasper phase indicates that this methodol. may be expanded to other periodic and quasiperiodic nanoarrays organized from self-assembling dendrimers and, most probably, to other soft and living complex matter.

Giant published new progress about 91-16-7. 91-16-7 belongs to ethers-buliding-blocks, auxiliary class Benzene,Ether,Inhibitor,Inhibitor,Inhibitor, name is 1,2-Dimethoxybenzene, and the molecular formula is C8H10O2, Product Details of C8H10O2.

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

Feng, Xinshu published the artcileEffect of the ancillary ligand in N-heterocyclic carbene iridium(III) catalyzed N-alkylation of amines with alcohols, SDS of cas: 52818-63-0, the publication is Polyhedron (2021), 115289, database is CAplus.

A series of air-stable N-heterocyclic carbene (NHC) Ir(III) complexes (Ir1-Ir6), bearing various combinations of chlorine, pyridine and NHC ligands, were assayed for the N-alkylation of amines with alcs. It was found that Ir3, with two monodentate 1,3-bis-methyl-imidazolylidene (IMe) ligands, emerged as the most active complex. A large variety of amines and primary alcs. were efficiently converted into mono-N-alkylated amines in 53-96% yields. As a special highlight, for the challenging MeOH, selective N-monomethylation could be achieved using KOH as a base under an air atm. Moreover, this catalytic system was successfully applied to the gram-scale synthesis of some valuable compounds

Polyhedron published new progress about 52818-63-0. 52818-63-0 belongs to ethers-buliding-blocks, auxiliary class Pyridine,Amine,Benzene,Ether, name is N-(4-Methoxybenzyl)pyridin-2-amine, and the molecular formula is C13H14N2O, SDS of cas: 52818-63-0.

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

Bai, Xueying published the artcileCatalyst-Free Hydrogen Proton Transfer Reduction of Nitrobenzamides to Aminobenzamides with i-PrOH/KOH System, Formula: C8H11NO, the publication is Asian Journal of Organic Chemistry (2021), 10(11), 2892-2894, database is CAplus.

A reduction of nitrobenzenes via the combination of KOH and isopropanol was established for the general synthesis of aniline derivatives A metal catalyst isn’t required in this alternative reduction reaction, and a series of nitrobenzamide compounds RC₆H₄C(O)NHR¹ (R = 2-NO₂, 3-NO₂, 4-NO₂; R¹ = 4-bromobenzyl, 2,6-diisopropylphenyl, 3-methoxybenzyl, etc.) were chemoselectively reduced into the corresponding aminobenzamides RC₆H₄C(O)NHR¹ (R = 2-NH₂, 3-NH₂, 4-NH₂) in good to excellent yields. This reaction is operationally simple, and proceeds under mild conditions.

Asian Journal of Organic Chemistry 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 C8H11NO, Formula: C8H11NO.

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