Month: October 2022

Patra, Kamaless; Laskar, Roshayed Ali; Nath, Anubhav; Bera, Jitendra K. published the artcile< A Protic Mn(I) Complex Based on a Naphthyridine-N-oxide Scaffold: Protonation/Deprotonation Studies and Catalytic Applications for Alkylation of Ketones>, Application of C7H9NO, the main research area is cyclometalated manganese naphthyridine oxide carbonyl complex preparation alkylation catalyst; crystal structure cyclometalated manganese naphthyridine oxide carbonyl complex; mol structure cyclometalated manganese naphthyridine oxide carbonyl complex; alkylation ketone primary alc manganese naphthyridine oxide catalyst.

A Mn(I) complex (1) bearing a proton responsive hydroxy unit on 1,8-naphthyridine-N-oxide scaffold (L1H) was synthesized. The mol. structure of 1 revealed the lactim form of the ligand. The corresponding deprotonated lactam complexes [18-C-6-K·2] and 3 were prepared and structurally characterized. The acid-base equilibrium between the lactim and lactam forms was studied by 1H NMR and UV-visible spectra. The catalytic efficiency of 1 was evaluated by performing α-alkylation reaction of ketones with primary alcs. The scope of the α-alkylation reaction is broad in terms of both ketones and alcs. The efficacy of the protic catalyst is demonstrated in the alkylation of the bioactive steroids progesterone and pregnenolone. A controlled catalyst [Mn(L2)(CO)3Br] (4), which is structurally similar to 1 but devoid of the proton responsive hydroxy unit, shows significantly reduced catalytic efficiency validating the crucial role of the hydroxy functionality in 1. Kinetic study, control reactions, and D labeling experiments were conducted to gain mechanistic insights.

Organometallics published new progress about Alkylation. 5344-90-1 belongs to class alcohols-buliding-blocks, and the molecular formula is C7H9NO, Application of C7H9NO.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Drummond, Michael J.; Ford, Courtney L.; Gray, Danielle L.; Popescu, Codrina V.; Fout, Alison R. published the artcile< Radical rebound hydroxylation versus H-atom transfer in non-heme iron(III)-hydroxo complexes: Reactivity and structural differentiation>, Synthetic Route of 76-84-6, the main research area is nonheme iron oxoglutarate enzyme mechanism hydroxylation H transfer.

The characterization of high-valent iron centers in enzymes has been aided by synthetic model systems that mimic their reactivity or structural and spectral features. For example, the cleavage of dioxygen often produces an iron(IV)-oxo that has been characterized in a number of enzymic and synthetic systems. In non-heme 2-oxogluterate dependent (iron-2OG) enzymes, the ferryl species abstracts an H-atom from bound substrate to produce the proposed iron(III)-hydroxo and caged substrate radical. Most iron-2OG enzymes perform a radical rebound hydroxylation at the site of the H-atom abstraction (HAA); however, recent reports have shown that certain substrates can be desatd. through the loss of a second H atom at a site adjacent to a heteroatom (N or O) for most native desaturase substrates. One proposed mechanism for the removal of the second H-atom involves a polar-cleavage mechanism (electron transfer-proton transfer) by the iron(III)-hydroxo, as opposed to a second HAA. Herein we report the synthesis and characterization of a series of iron complexes with hydrogen bonding interactions between bound aquo or hydroxo ligands and the secondary coordination sphere in ferrous and ferric complexes. Interconversion among the iron species is accomplished by stepwise proton or electron addition or subtraction, as well as H-atom transfer (HAT). The calculated bond dissociation free energies (BDFEs) of two ferric hydroxo complexes, differentiated by their noncovalent interactions and reactivity, suggest that neither complex is capable of activating even weak C-H bonds, lending further support to the proposed mechanism for desaturation in iron-2OG desaturase enzymes. Addnl., the ferric hydroxo species are differentiated by their reactivity toward performing a radical rebound hydroxylation of triphenylmethylradical. Our findings should encourage further study of the desaturase systems that may contain unique H-bonding motifs proximal to the active site that help bias substrate desaturation over hydroxylation.

Journal of the American Chemical Society published new progress about Conformation. 76-84-6 belongs to class alcohols-buliding-blocks, and the molecular formula is C19H16O, Synthetic Route of 76-84-6.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Barre, Annick; Bourne, Yves; Van Damme, Els J. M.; Rouge, Pierre published the artcile< Overview of the structure-function relationships of mannose-specific lectins from plants, algae and fungi>, Formula: C6H12O6, the main research area is review Araucaria Phlebodium mannose lectin; function; fungi; lectin; mannose-binding specificity; plant; structure; use as tools.

To date, a number of mannose-binding lectins have been isolated and characterized from plants and fungi. These proteins are composed of different structural scaffold structures which harbor a single or multiple carbohydrate-binding sites involved in the specific recognition of mannose-containing glycans. Generally, the mannose-binding site consists of a small, central, carbohydrate-binding pocket responsible for the “”broadsugar-binding specificity”” toward a single mannose mol., surrounded by a more extended binding area responsible for the specific recognition of larger mannose-containing N-glycan chains. Accordingly, the mannose-binding specificity of the so-called mannose-binding lectins towards complex mannose-containing N-glycans depends largely on the topog. of their mannose-binding site(s). This structure-function relationship introduces a high degree of specificity in the apparently homogeneous group of mannose-binding lectins, with respect to the specific recognition of high-mannose and complex N-glycans. Because of the high specificity towards mannose these lectins are valuable tools for deciphering and characterizing the complex mannose-containing glycans that decorate both normal and transformed cells, e.g., the altered high-mannose N-glycans that often occur at the surface of various cancer cells.

International Journal of Molecular Sciences published new progress about Araucaria brasiliana Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 3458-28-4 belongs to class alcohols-buliding-blocks, and the molecular formula is C6H12O6, Formula: C6H12O6.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Han, Yuanji; Wang, Hongyun; Wang, Xiaodan; Li, Ke; Dong, Meifang; Li, Yong; Zhu, Qian; Shang, Fude published the artcile< Mechanism of floral scent production in Osmanthus fragrans and the production and regulation of its key floral constituents, β-ionone and linalool>, Name: 3,7-Dimethylocta-1,6-dien-3-ol, the main research area is transcriptome beta ionone linalool floral scent Osmanthus; Plant morphogenesis; Secondary metabolism; Transcriptional regulatory elements.

Sweet osmanthus (Osmanthus fragrans Lour.) is among the top ten most well-known flowers in China and is recognized as both an aromatic plant and ornamental flower. Here, manual sectioning, SEM, and transmission electron microscopy of sweet osmanthus petals revealed that large amounts of lipids are present inside the petal cells and on the cell surfaces. However, no secretory structures were observed Instead, the petal cells protrude slightly outward, and the surfaces of the cells are adorned with highly regular brush-shaped hairs. The surfaces of the ‘Yingui’ petals possessed mostly curled and more numerous hairs, whereas the ‘Dangui’ petals possessed fewer brush-shaped and more sparsely arranged hairs. In addition, many granular substances were attached to the brush-shaped hairs, and the granules were denser on the hairs of the ‘Yingui’ petals compared to the hairs on the ‘Dangui’ petals. Furthermore, 35 aromatic components in the ‘Yingui’ petals and 30 aromatic components in the ‘Dangui’ petals were detected via GC-MS. The main aromatic component of the ‘Yingui’ petals was β-ionone, whereas that of the ‘Dangui’ petals was linalool and its oxides. Transcriptome sequencing and qRT-PCR indicated that the high β-ionone content in the ‘Yingui’ petals was due to the overexpression of CCD1 and CCD4 and that the high linalool content in the ‘Dangui’ petals was due to the overexpression of MECS, HDR, IDI1, and LIS1, which function upstream of the linalool synthetic pathway. In particular, the expression levels of CCD4 and LIS1 were upregulated by 5.5- and 5.1-fold in the ‘Yingui’ and ‘Dangui’ petals, resp. One transcription factor (ERF61) was cloned and named, and the expression pattern of ERF61 in sweet osmanthus petals was found to be generally consistent with that of CCD4. Tobacco transformation experiments, yeast one-hybrid experiments, and electrophoretic mobility shift assays indicated that ERF61 binds to the CCD4 promoter and stimulates CCD4 expression, thereby regulating the synthesis of β-ionone in sweet osmanthus petals.

Horticulture Research published new progress about Flower petal. 78-70-6 belongs to class alcohols-buliding-blocks, and the molecular formula is C10H18O, Name: 3,7-Dimethylocta-1,6-dien-3-ol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Cai, Dong; Li, Jinbin; Ma, Zhuang; Gan, Zhanhui; Shao, Yu; Xing, Qian; Tan, Rui; Dong, Xue-Hui published the artcile< Effect of Molecular Architecture and Symmetry on Self-Assembly: A Quantitative Revisit Using Discrete ABA Triblock Copolymers>, Quality Control of 627-27-0, the main research area is architecture symmetry assembly discrete diblock triblock copolymer.

The inherent statistical heterogeneities associated with chain length, composition, and architecture of synthetic block copolymers compromise the quant. interpretation of their self-assembly process. This study scrutinizes the contribution of mol. architecture on phase behaviors using discrete ABA triblock copolymers with precise chem. structure and uniform chain length. A group of discrete triblock copolymers with varying composition and symmetry were modularly synthesized through a combination of iterative growth methods and efficient coupling reactions. The sym. ABA triblock copolymers self-assemble into long-range ordered structures with expanded domain spacings and enhanced phase stability, compared with the diblock counterparts snipped at the middle point. By tuning the relative chain length of two end blocks, the mol. asymmetry reduces the packing frustration, and thus increases the order-to-disorder transition temperature and enlarges the domain sizes. This study would serve as a quant. model system to correlate the exptl. observations with the theor. assessments and to provide quant. understandings for the relationship between mol. architecture and self-assembly.

ACS Macro Letters published new progress about Catalysts, Karstedt’s. 627-27-0 belongs to class alcohols-buliding-blocks, and the molecular formula is C4H8O, Quality Control of 627-27-0.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Li, Jian-Yuan; Huang, Hongbing published the artcile< Development of DNA-Compatible Suzuki-Miyaura Reaction in Aqueous Media>, SDS of cas: 660867-80-1, the main research area is DNA Suzuki Miyaura reaction aryl halide boronic acid.

DNA-encoded chem. libraries (DELs) are a cost-effective technol. for the discovery of novel chem. probes and drug candidates. A major limiting factor in assembling productive DELs is the availability of DNA-compatible chem. reactions in aqueous media. In an effort to increase the chem. accessibility and structural diversity of small mols. displayed by DELs, the authors developed a robust Suzuki-Miyaura reaction protocol that is compatible with the DNA structures. By employing a water-soluble Pd-precatalyst, the authors developed conditions that allow efficient coupling of DNA-linked aryl halides with a wide variety of boronic acids/esters including heteroaryl boronates.

Bioconjugate Chemistry published new progress about Aryl halides Role: RCT (Reactant), RACT (Reactant or Reagent) (DNA-conjugate). 660867-80-1 belongs to class alcohols-buliding-blocks, and the molecular formula is C12H18BNO2, SDS of cas: 660867-80-1.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Dahlund, Mats; Olin, Aake published the artcile< An estimate of the complexing ability of olsalazine from a study of its complexation of copper(2+)>, Recommanded Product: Sodium 5,5′-(diazene-1,2-diyl)bis(2-hydroxybenzoate), the main research area is olsalazine complexation copper.

The di-Na salt of olsalazine, Na2H2A, is the essential component in a new drug for the treatment of ulcerative colitis. An attempt was made to elucidate the complex chem. of H2A2- from a study of its complexation of Cu2+. The values of the equilibrium constants were β1 = 1.3 x 10-2 and β2 = 3 x 10-5 (25°, 0.1M NaNO3) as determined by spectrophotometric measurements. The value of β1 is discussed with reference to the corresponding value for salicylic and 5-sulfosalicylic acid. The formation constants of metal complexes of H2A2-, which in general are difficult to determine, can be estimated from the known values for 5-sulfosalicylic acid.

Acta Pharmaceutica Suecica published new progress about 6054-98-4. 6054-98-4 belongs to class alcohols-buliding-blocks, and the molecular formula is C14H8N2Na2O6, Recommanded Product: Sodium 5,5′-(diazene-1,2-diyl)bis(2-hydroxybenzoate).

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Yao, Zhengdong; Feng, Huangdi; Xi, Hui; Xi, Chuanjun; Liu, Weiping published the artcile< CF3SO3H-enabled cascade ring-opening/dearomatization of indole derivatives to polycyclic heterocycles>, Category: alcohols-buliding-blocks, the main research area is fused polycyclic indoline amine preparation; indole trifluoromethanesulfonic acid cascade ring opening dearomatization.

A novel dearomatization process to produce fused polycyclic indolines via a CF3SO3H-mediated cascade ring-opening of a β-lactam and hydroaminative cyclization is demonstrated. It provides a new strategy for the synthesis of important polycyclic indoline-2-amine derivatives in moderate to excellent yields, as well as with good functional group tolerance. Moreover, transformation of the product was performed to deliver the corresponding acid, alc. and amide smoothly.

Organic & Biomolecular Chemistry published new progress about Alcohols Role: RCT (Reactant), RACT (Reactant or Reagent). 627-27-0 belongs to class alcohols-buliding-blocks, and the molecular formula is C4H8O, Category: alcohols-buliding-blocks.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Willems, Suzanne; Toupalas, Georgios; Reisenbauer, Julia C.; Morandi, Bill published the artcile< A site-selective and stereospecific cascade Suzuki-Miyaura annulation of alkyl 1,2-bisboronic esters and 2,2'-dihalo 1,1'-biaryls>, Computed Properties of 627-27-0, the main research area is dihydrophenanthrene preparation regioselective; bisboronic ester biaryl Suzuki Miyaura annulation cascade palladium catalyst.

A cascade Suzuki-Miyaura cross-coupling gave rise to 9,10-dihydrophenanthrenes I [R1 = n-Pr, n-hexyl, (CH2)2Ph, etc.; R2 = H, 3-Me, 2-F, etc.; R3 = H, 6-Me, 7-F, etc.] was developed. Using biaryls with unsym. substitution-pattern full site-selectivity was observed Furthermore, this cross-coupling of an alkyl 1,2-bisboronic pinacol ester proceeded through the challenging coupling of a secondary boronate with complete stereoretention.

Chemical Communications (Cambridge, United Kingdom) published new progress about Biaryls Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 627-27-0 belongs to class alcohols-buliding-blocks, and the molecular formula is C4H8O, Computed Properties of 627-27-0.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Kondo, Mizuho; Miyake, Jun-ichi; Tada, Kazuya; Kawatsuki, Nobuhiro published the artcile< Tuning photoluminescent wavelength of water-soluble oligothiophene/polymer complex film by proton bonding>, Reference of 660867-80-1, the main research area is thiophene oligomer pyridyl end group preparation photoluminescence photochromism protonation.

An oligothiophene derivative with pyridine end groups was prepared and the UV-visible absorption and photoluminescence of the compound were studied. Upon addition of aqueous polystyrenesulfonic acid solution, homogeneous complex films with protonated structure were observed Reversible color change in photoluminescence, in response to exposure of the protonated species to base solution was observed, which is due to reversible protonation of pyridyl end groups; this response can be applied to acid sensors.

Chemistry Letters published new progress about Luminescence. 660867-80-1 belongs to class alcohols-buliding-blocks, and the molecular formula is C12H18BNO2, Reference of 660867-80-1.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts