Category: 151-10-0

Rajvanshi, Sandeep Kumar published the artcileIdentification of bioactive phytometabolites in essential oil of African marigold (Tagetes erecta L.) using FT-IR & DART-MS techniques, COA of Formula: C8H10O2, the main research area is Tagetes erecta essential oil bioactive phytometabolite FTIR DARTMS.

Tagetes erecta L. belongs to family Asteraceae, most widely used as ornamental plant, has cosmetic as well as medicines values. Since oil extracted from its plant parts for secondary metabolites present in the plant such as alkaloids, steroids, tannins and phenolic compounds, flavonoids, etc. Oil was extracted from flowers, as well as leaves marigold (Tagetes erecta L.) in fresh form and after processing by solvent extraction method using n-hexane as solvent. Samples were subjected to Fourier transform IR spectroscopy (FT-IR) where spectra of samples have shown the presence of major functional groups viz., alkanes, aromatic, phenols, aliphatic, nitro compounds and amines, etc at wavelength of 3400 to 3480 cm-1 (alc. & phenols), 2850 to 2990 cm-1 (alkanes), 1050 to 1200 cm-1 (aliphatic amines) and 720 to 890 cm-1 (aromatics). Presence of more number of peaks shows the presence of more number of bioactive compounds These samples were further validated by DART Mass Spectrometry where peak at m/z 136 correspond to terpenoids, 151 (ketone), 169 (phenols), 183 (alc.), etc. Presence of phenolic compound galic acid in the samples proves the antioxidant activity of the samples.

Annals of Plant Sciences published new progress about Aliphatic amines Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 151-10-0 belongs to class isoquinoline, name is 1,3-Dimethoxybenzene, and the molecular formula is C8H10O2, COA of Formula: C8H10O2.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Shreiber, Scott T. published the artcileSolvated Nickel Complexes as Stoichiometric and Catalytic Perfluoroalkylation Agents, Formula: C8H10O2, the main research area is nickel perfluoroalkyl complex preparation coupling iodonium diazonium fluoroalkylation; perfluoroalkylarene preparation fluoroalkylation iodonium diazonium nickelate complex; crystal mol structure nickel perfluoroalkyl complex; catalysis; fluorine; nickel; perfluoroalkylation; trifluoromethylation.

The acetonitrile-solvated [(MeCN)Ni(C2F5)3]- was prepared in order to compare and contrast its reactivity with the known [(MeCN)Ni(CF3)3]- towards organic electrophiles. Both [(MeCN)Ni(CF3)3]- and [(MeCN)Ni(C2F5)3]- successfully react with aryl iodonium and diazonium salts as well as alkynyl iodonium salts to give fluoroalkylated organic products. Electrochem. anal. of [(MeCN)NiII(C2F5)3]- suggests that, upon electro-oxidation to [(MeCN)nNiIII(C2F5)3], reductive homolysis of a perfluoroethyl radical occurs, with the concomitant formation of [(MeCN)2NiII(C2F5)2]. Catalytic C-H trifluoromethylations of electron-rich arenes were successfully achieved using either [(MeCN)Ni(CF3)3]- or the related [Ni(CF3)4]2-. Stoichiometric reactions of the solvated nickel complexes reveal that “”ligandless”” nickel is exceptionally capable of serving as reservoir of CF3 groups under catalytically relevant conditions.

Angewandte Chemie, International Edition published new progress about Alkynes Role: RCT (Reactant), RACT (Reactant or Reagent) (alkynyliodonium compounds). 151-10-0 belongs to class isoquinoline, name is 1,3-Dimethoxybenzene, and the molecular formula is C8H10O2, Formula: C8H10O2.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Johnson, James A. published the artcileDiscovery of a Hydroxypyridinone APJ Receptor Agonist as a Clinical Candidate, Quality Control of 151-10-0, the main research area is APJ receptor agonist pharmacokinetic oral bioavailability pharmacodynamic.

Apelin-13 is an endogenous peptidic agonist of the apelin receptor (APJ) receptor with the potential for improving cardiac function in heart failure patients. However, the low plasma stability of apelin-13 necessitates continuous i.v. infusion for therapeutic use. There are several approaches to increase the stability of apelin-13 including attachment of pharmacokinetic enhancing groups, stabilized peptides, and Fc-fusion approaches. We sought a small-mol. APJ receptor agonist approach to target a compound with a pharmacokinetic profile amenable for chronic oral administration. This manuscript describes sequential optimization of the pyrimidinone series, leading to pyridinone 14(I), with in vitro potency equivalent to the endogenous ligand apelin-13 and with an excellent oral bioavailability and PK profile in multiple preclin. species. Compound 14 exhibited robust pharmacodynamic effects similar to apelin-13 in an acute rat pressure-volume loop model and was advanced as a clin. candidate.

Journal of Medicinal Chemistry published new progress about Apelin receptors Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 151-10-0 belongs to class isoquinoline, name is 1,3-Dimethoxybenzene, and the molecular formula is C8H10O2, Quality Control of 151-10-0.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Oh, Hyeonji published the artcileSynthesis of Bicyclic N-Heterocycles via Photoredox Cycloaddition of Imino-Alkynes and Imino-Alkenes, HPLC of Formula: 151-10-0, the main research area is pyrrolizidinone preparation diastereoselective density functional theory; imino alkyne photoredox cycloaddition photocatalyst; dihydro oxazine preparation diastereoselective density functional theory; alkene imino photoredox cycloaddition photocatalyst.

This redox-neutral reaction involves formal imine-alkyne metathesis followed by redox-mediated annulation with concomitant rearrangement. The synthesis of pyrrolizidinones I [n = 1,2; R1 = H, Me; R2 = H, Me, Ph, C(O)OMe; R3 = H, Me, C(O)OMe; R2R3 = -(CH2)5-; R4 = 4-chlorophenyl, pyrimidin-5-yl, isoquinolin-4-yl, etc.; R5 = i-Pr, Et, Bn, t-Bu; R6 = i-Pr, Et, Bn, t-Bu] based on intramol. imine-alkynes II [2+2] cycloaddition under visible light photocatalysis have been reported. In contrast, the use of imino-alkenes III [X = CH2, O, S(O)2, TsN; R7 = H, Me; R8 = H, Me, Ph, etc.; R7R8 = -(CH2)5-; R9 = H, Me] provides dihydro-1,4-oxazines IV via an alternative [4+2] cycloaddition pathway. The proposed reaction mechanisms were supported by control experiments and DFT calculations

ACS Catalysis published new progress about Alkenes Role: PRP (Properties), RCT (Reactant), RACT (Reactant or Reagent) (imino-). 151-10-0 belongs to class isoquinoline, name is 1,3-Dimethoxybenzene, and the molecular formula is C8H10O2, HPLC of Formula: 151-10-0.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Zhao, Lanxiao published the artcileCalcium-Catalyzed Dehydrogenative Silylation of Aromatic Ethers with Hydrosilane, Name: 1,3-Dimethoxybenzene, the main research area is calcium benzyl complex catalyzed dehydrogenative silylation aromatic ether hydrosilane; scorpionate supported calcium benzyl ether complex preparation crystal structure; mol structure scorpionate supported calcium benzyl ether complex; silyl substituted aromatic ether derivative preparation.

The catalytic regioselective C-H silylation of a wide range of alkoxy-substituted benzene derivatives with primary hydrosilane was achieved using scorpionate-supported Ca benzyl complex [(TpAd,iPr)Ca(p-CH2C6H4Me)(THP)] (1) (TpAd,iPr = hydrotris(3-adamantyl-5-isopropylpyrazolyl)borate, THP = tetrahydropyran) as the precatalyst. This protocol offers an atom-efficient and straightforward method for the synthesis of a variety of silyl-substituted aromatic ether derivatives without a H acceptor and free of transition metal. Ca anisyl complexes [(TpAd,iPr)Ca(o-MeO-m-Br-C6H3)] (5) and [(TpAd,iPr)Ca(o-Me-OCH2C6H4)] (6), proposed as the catalytic reaction intermediates, were isolated and structurally characterized.

ACS Catalysis published new progress about Benzenoid aromatic compounds Role: RCT (Reactant), RACT (Reactant or Reagent). 151-10-0 belongs to class isoquinoline, name is 1,3-Dimethoxybenzene, and the molecular formula is C8H10O2, Name: 1,3-Dimethoxybenzene.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Solomonov, Boris N. published the artcileAn approach for the calculation of vaporization enthalpies of aromatic and heteroaromatic compounds at 298.15 K applicable to supercooled liquids, Recommanded Product: 1,3-Dimethoxybenzene, the main research area is aromatic heteroaromatic compound supercooled liquid vaporization enthalpy calculation.

An approach for the calculation of the vaporization enthalpies of aromatic and heteroaromatic compounds at T = 298.15 K with accuracy competitive with experiment was proposed. The vaporization enthalpies may be calculated from the solution enthalpies of liquid and solvation enthalpies in benzene. The solution enthalpies of liquids were shown to be constant within a given type of aromatic compounds For a set of 67 liquid and 41 solid aromatic and heteroaromatic compounds not capable of intermol. hydrogen bonding, it was exptl. demonstrated that the solution enthalpies of liquids or supercooled liquids in benzene were equal to 1 ± 1 kJ·mol-1. The way to consider intermol. hydrogen bonding, e.g., in phenol, aniline, pyrrole derivatives, was also proposed. The methods for solvation enthalpy calculation were proposed previously. The calculated and literature vaporization enthalpies values of 415 aromatic and heteroaromatic compounds were compared. Average absolute deviation amounted to 1.3 kJ·mol-1. The proposed approach is especially valuable for calculation of the vaporization enthalpies of low-volatile compounds, including those solid at T = 298.15 K.

Journal of Molecular Liquids published new progress about Calculators. 151-10-0 belongs to class isoquinoline, name is 1,3-Dimethoxybenzene, and the molecular formula is C8H10O2, Recommanded Product: 1,3-Dimethoxybenzene.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Manning-Geist, Beryl L. published the artcilePhase II study of enzalutamide in androgen receptor positive, recurrent, high- and low-grade serous ovarian cancer, Application In Synthesis of 151-10-0, the main research area is enzalutamide anticancer agent androgen receptor ovarian cancer; Androgen receptor expression; Enzalutamide; Ovarian cancer; Recurrent ovarian cancer; Serous ovarian cancer.

We sought to determine the safety and efficacy of the oral androgen receptor antagonist enzalutamide in patients with previously treated, recurrent, AR-pos. (AR+) ovarian cancer. This was a single-institution phase II study of patients with AR+ ovarian cancer with measurable disease with 1-3 prior lines of chemotherapy; patients were screened for enrollment from 11/2013-7/2018. Following consent, archival tissue was evaluated for AR+. Enrolled patients received daily enzalutamide 160 mg until progression of disease or treatment discontinuation. Adverse events were graded by CTCAE v4.0. Co-primary endpoints were 6-mo progression-free survival (PFS6) and overall response rate (ORR) by RECIST 1.1 criteria. During the study period, 160 patients were screened and 59 (45 high-grade serous [HGS] and 14 low-grade serous [LGS]) consented to treatment on study. There was 1 confirmed and 1 unconfirmed partial response. The ORR was 1.7% (90% CI: 0.2-100%). The overall PFS6 rate (as binary) was 22% (90% CI: 15.1-100%). The 6-mo PFS rate (as time to event) was 19.8% for HGS patients (90% CI: 12.7-100%) and 38.5% (90% CI: 21.7%-100%) for LGS patients. Grade 3 toxicities occurred in 6 patients (one toxicity (Grade 3 rash) was considered a dose-limiting toxicity). One patient died of cardiac arrest after 42 days on treatment of a cardiac arrest not attributed to study drug. The study met its primary endpoint, with a PFS6 rate of 22% (n = 13); however, the overall response rate was low. Enzalutamide was well tolerated and may be a potential treatment option in select patients.

Gynecologic Oncology published new progress about Androgen receptors Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 151-10-0 belongs to class isoquinoline, name is 1,3-Dimethoxybenzene, and the molecular formula is C8H10O2, Application In Synthesis of 151-10-0.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Li, Mingxue published the artcileMechanism and kinetics of ClO·-mediated degradation of aromatic compounds in aqueous solution: DFT and QSAR studies, Recommanded Product: 1,3-Dimethoxybenzene, the main research area is density functional theory degradation chlorine oxide radical wastewater treatment.

The action of ClO· is more prominent than HO· and Cl· in the advanced oxidation degradation of some pollutants. However, studies on the pollutant degradation mechanism and kinetics by ClO· are limited. In this study, 43 different kind of aromatic compounds which are important anthropogenic and natural water pollutants were selected as models to investigate their ClO· oxidation mechanism and kinetics computationally. The results showed that radical adduct formation (RAF) rather than single electron transfer (SET) reaction was prominent in ClO·-initiated reactions of aromatic compounds In subsequent reactions of the ClO-adduct, the Cl end of the -OCl moiety shifted to the benzene ring, which was the key to hydroxylation and chlorination of aromatic compounds by ClO·. The calculated ClO· initiated reaction rate constants (k·ClO) of aromatic compounds were 102-1010 M-1 s-1. ClO· was highly reactive to phenolates, anilines and alkoxy/hydroxyl aromatic compounds Upon the deprotonation of phenol to phenolate, the k·ClO value increased by 4 orders of magnitude. The k·ClO values of alkoxybenzenes were higher for compounds with shorter alkyl side chains and more alkoxy substituents. The k·ClO increased for anilines with longer alkyl side chains. The k·ClO quant. structure-activity relationships (QSARs) models were developed to predict the reactivity of ClO· to complex aromatic compounds in aquatic systems.

Chemical Engineering Journal (Amsterdam, Netherlands) published new progress about Density functional theory. 151-10-0 belongs to class isoquinoline, name is 1,3-Dimethoxybenzene, and the molecular formula is C8H10O2, Recommanded Product: 1,3-Dimethoxybenzene.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Courant, Thibaut published the artcileTritylium assisted iodine catalysis for the synthesis of unsymmetrical triarylmethanes, Recommanded Product: 1,3-Dimethoxybenzene, the main research area is unsym triarylmethane preparation; diarylmethylsulfide benzene Friedel Crafts arylation tritylium iodine catalyst.

The combined Lewis acid catalytic system, generated from mol. iodine and tritylium tetrafluoroborate effectively catalyzed the Friedel-Crafts (FC) arylation of diarylmethyl sulfides providing an efficient access to various unsym. triarylmethanes, e.g., I. The addition of tritylium and iodine created a more active catalytic system to promote the cleavage of sulfidic C-S bonds.

Organic & Biomolecular Chemistry published new progress about Arylation. 151-10-0 belongs to class isoquinoline, name is 1,3-Dimethoxybenzene, and the molecular formula is C8H10O2, Recommanded Product: 1,3-Dimethoxybenzene.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Muralirajan, Krishnamoorthy published the artcileExploring the Structure and Performance of Cd-Chalcogenide Photocatalysts in Selective Trifluoromethylation, Application In Synthesis of 151-10-0, the main research area is trifluoromethylated arene oxindole alkene preparation photochem; heteroarene alkene selective trifluoromethylation cadmium selenide catalyst.

The field of heterogeneous photoredox catalysis has grown substantially and impacted organic synthesis because of the affordability and reusability of catalysts. This study reports radical trifluoromethylation with Cd-chalcogenide semiconductors. Cd semiconductors, particularly CdSe, are readily available, com., visible-light-responsive, heterogeneous photocatalysts. The potential of readily available Cd semiconductors, particularly CdSe, is confirmed by their increased photocatalytic activity toward trifluoromethylation with various substrates, such as (hetero)arenes and vinylic amides/acids, via addition, cyclization, and decarboxylation under visible light. The economic significance of this strategy is also highlighted through the scalable synthesis of biol. active mols. followed by catalyst reuse. Moreover, these catalysts are relatively inexpensive compared with transition metal-based homogeneous photocatalysts, presently used in organic synthesis.

ACS Catalysis published new progress about Cyclization. 151-10-0 belongs to class isoquinoline, name is 1,3-Dimethoxybenzene, and the molecular formula is C8H10O2, Application In Synthesis of 151-10-0.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem