Category: 93-04-9

Poole, Colin F. published the artcileSelection of calibration compounds for selectivity evaluation of siloxane-bonded silica columns for reversed-phase liquid chromatography by the solvation parameter model, Recommanded Product: 2-Methoxynaphthalene, the publication is Journal of Chromatography A (2020), 461652, database is CAplus and MEDLINE.

For the faster evaluation of selectivity in reversed-phase liquid chromatog. of siloxane-bonded silica columns using the solvation parameter model a minimal set of calibration compounds is described suitable for mobile phase composition from 20-70% (volume/volume) methanol-, acetonitrile-, or tetrahydrofuran-water. The Kennard-Stone uniform mapping algorithm is used to select the calibration compounds from a larger database of compounds with known retention properties used earlier for column selectivity evaluation. Thirty-five compounds are shown to be necessary to minimize the standard deviation of the system constants and to minimize the difference between the system constants determined by conventional calibration and the values obtained for the reduced calibration compounds The models for SunFire C₁₈ with methanol-, acetonitrile- and tetrahydrofuran-water mobile phase compositions and XBridge Shield RP18, XBridge C₈, XBridge Ph and Discovery HS F5 with methanol- and acetonitrile-water mobile phase compositions had an average coefficient of determination of 0.996 (standard deviation = 0.003, n = 11) and average standard error of the estimate 0.025 (standard deviation = 0.005, n = 11) for the reduced calibration compounds Some octadecylsiloxane-bonded silica stationary phases with a high bonding d. and methanol-water mobile phase compositions containing ≤ 30% (volume/volume) methanol exhibit extreme retention factors (log k > 2.5) for the low-polarity, two-ring aromatic compounds in the thirty-five compound calibration set. Alternative calibration compounds with more favorable retention properties are suggested as replacements in these cases. The predictive capability of the calibration models is validated using external test sets characterized by the average error, average absolute error and root mean square error of prediction. For the thirty-five calibration compounds sets the average absolute error 0.026 (standard deviation = 0.009, n = 11) and root mean square error of prediction 0.032 (standard deviation = 0.010, n = 11) confirm the suitability of the calibration models for column selectivity evaluation. System maps for XBridge Shield RP18 for 20-70% (volume/volume) methanol-water and Synergi Hydro-RP and 50% (volume/volume) methanol-water at temperatures from 25-65°C together with a correlation diagram for XBridge Shield RP18 and SunFire C₁₈ are presented as representative applications of the reduced calibration compounds for column selectivity evaluation.

Journal of Chromatography A 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, Recommanded Product: 2-Methoxynaphthalene.

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

Poole, Colin F. published the artcileEvaluation of the solvation parameter model as a quantitative structure-retention relationship model for gas and liquid chromatography, Related Products of ethers-buliding-blocks, the publication is Journal of Chromatography A (2020), 461308, database is CAplus and MEDLINE.

The Wayne State University (WSU) exptl. descriptor database is utilized to bench mark the current capability of the solvation parameter model for use as a quant. structure-retention relationship tool for estimating retention in gas and reversed-phase liquid chromatog. The prediction error for the retention factors of varied compounds on six open-tubular columns for gas chromatog. (Rtx-5 SIL MS, DB-35 ms, RtxCLPesticides, HP-88, HP-INNOWAX and SLB-IL76) and three packed columns for reversed-phase liquid chromatog. (SunFire C₁₈, XBridge Shield RP₁₈, and XBridge Phenyl) is used to establish expectations related to current practices. Each column data set was divided into a training set for calibration and a test set for validation employing a roughly 1 to 2 split, such that each test set contained about 40 to 80 varied compounds The average absolute error for the prediction of retention factors by gas chromatog. varied from about 0.1 to 0.4 on the retention factor scale with the larger error typical of stationary phases ranked as the most polar (or cohesive). For reversed-phase liquid chromatog. the average error for the prediction of retention factors was 0.3 to 0.5 and generally larger than for gas chromatog. Statistical filters where utilized to identify a group of polycyclic aromatic compounds without hydrogen-bonding functional groups with a larger prediction error on the SunFire C₁₈ column than for other compounds of smaller size, flexible structure or containing hydrogen-bonding functional groups. The heterogeneity of the retention mechanism is speculated to be the main contribution to the prediction error for both gas and liquid chromatog. using the solvation parameter model.

Journal of Chromatography A 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, Related Products of ethers-buliding-blocks.

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

Poole, Colin F. published the artcileSelection of calibration compounds for selectivity evaluation of wall-coated, open-tubular columns for gas chromatography by the solvation parameter model, Application of 2-Methoxynaphthalene, the publication is Journal of Chromatography A (2020), 461500, database is CAplus and MEDLINE.

To facilitate faster selectivity evaluation of wall-coated, open-tubular columns using the solvation parameter model a reduced set of calibration compounds is identified and validated for the temperature ranges 60-140°C and 160-260°C. The Kennard-Stone uniform mapping algorithm is used to identify the calibration compounds from a larger database of compounds with known retention properties previously adopted for column selectivity evaluation. Thirty-five compounds for each temperature range are required to minimize the standard deviation of the system constants used for selectivity evaluation and to minimize differences between system constants determined by conventional calibration and the reduced calibration compounds The models for the reduced calibration compounds on ten siloxane-based and poly(ethylene glycol) stationary phases have a coefficient of determination of 0.984 to 0.998 and standard error of the estimate of 0.012 to 0.30. The predictive capability of models is evaluated for the reduced sets of calibration compounds using external test sets with ranking of the calibration models by changes in the average error, average absolute error and root mean square error of prediction for the test sets. For the selected thirty-five reduced calibration compounds the range for the average absolute error was 0.014 to 0.033 and 0.016 to 0.040 for the root mean square error of prediction for the independent test sets.

Journal of Chromatography A 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

Yan, Boyu published the artcileCatalyst-free reductive hydrogenation or deuteration of aryl-heteroatom bonds induced by light, SDS of cas: 93-04-9, the publication is Organic Chemistry Frontiers (2021), 8(19), 5244-5249, database is CAplus.

A simple and catalyst-free photochem. strategy for the direct reduction of aryl trimethylammonium salts ArNMe₃OTf (Ar = biphenyl-4-yl, 2-naphthyl, quinolin-3-yl, etc.), aryl triflates Ar¹OTf (Ar¹ = biphenyl-3-yl, 1,6-dimethylpyridin-4-yl, benzothiazol-5-yl, etc.), and haloarenes Ar²X (Ar² = biphenyl-4-yl, 2-naphthyl, quinolin-4-yl, etc.; X = Cl, Br, I) to arenes ArH/Ar¹H or deuterium-labeled arenes ArD/Ar¹D/Ar²D was described. A broad range of substrate scope was demonstrated with high yields and deuterium incorporations. Radical clock experiments indicate the formation of aryl radical intermediates that can also be trapped by phenols.

Organic Chemistry Frontiers 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 C19H14O2, SDS of cas: 93-04-9.

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

Baerncopf, Jamie published the artcilePrevalence of ignitable liquids in clothing with printing, Quality Control of 93-04-9, the publication is Forensic Science International (2020), 110312, database is CAplus and MEDLINE.

In this study, 141 shirts were evaluated to determine the prevalence of ignitable liquids in printed shirts. Both new and worn shirts were included in this study. Volatile components extracted from the shirts were noted and many of the most commonly encountered components could be contributed to human skin or laundry, personal hygiene, or personal care products. Volatile components that are known to be present in ignitable liquids were also identified, including toluene, C2-alkylbenzenes, and normal alkanes. An aromatic pattern consisting of toluene, C2-alkylbenzenes, and sometimes extending to the C3-alkylbenzenes or beyond was observed in 41% of the shirts in this study. This pattern was mainly visible in the aromatic extracted ion profile, though it was clearly identifiable in some total ion chromatograms. This high occurrence suggests that a caveat should be used if identifying an aromatic product in a clothing item with printing. Though several shirts showed multiple sequential n-alkanes, only one had a petroleum pattern that would be considered for identification.

Forensic Science International 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, Quality Control of 93-04-9.

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

Yuan, Tao published the artcileCeramic boron carbonitrides for unlocking organic halides with visible light, Safety of 2-Methoxynaphthalene, the publication is Chemical Science (2021), 12(18), 6323-6332, database is CAplus and MEDLINE.

Here, boron carbonitride (BCN) ceramics were such a system and can reduce organic halides, including (het)aryl and alkyl halides, with visible light irradn was reported. Cross-coupling of halides to afford new C-H, C-C, and C-S bonds was proceeded at ambient reaction conditions. Hydrogen, (het)aryl, and sulfonyl groups were introduced into the arenes and heteroarenes at the designed positions by means of mesolytic C-X (carbon-halogen) bond cleavage in the absence of any metal-based catalysts or ligands. BCN was used not only for half reactions, like reduction reactions with a sacrificial agent, but also redox reactions through oxidative and reductive interfacial electron transfer. The BCN photocatalyst showed tolerance to different substituents and conserved activity after five recycles. The apparent metal-free system opened new opportunities for a wide range of organic catalysts using light energy and sustainable materials, which were metal-free, inexpensive and stable.

Chemical Science 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 C9H9ClN2, Safety of 2-Methoxynaphthalene.

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

Wang, Lei published the artcileCatalyst-Free 1,2-Dibromination of Alkenes Using 1,3-Dibromo-5,5-dimethylhydantoin (DBDMH) as a Bromine Source, Recommanded Product: 2-Methoxynaphthalene, the publication is Journal of Organic Chemistry, database is CAplus and MEDLINE.

A direct 1,2-dibromination method of alkenes is realized using 1,3-dibromo-5,5-dimethylhydantoin (DBDMH) as bromine source. This reaction proceeds under mild reaction conditions without the use of catalyst and external oxidant. Various sorts of alkene substrates are transformed into the corresponding 1,2-dibrominated products in good to excellent yields with broad substrate scope and exclusive diastereoselectivity. This method offers a green and practical approach to synthesize vicinal dibromide compounds

Journal of Organic Chemistry 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 C38H24F4O4P2, Recommanded Product: 2-Methoxynaphthalene.

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

Zhang, Dao published the artcileEffect of the Dihedral Angle of Biaryl-Bridged Bis(N-Heterocylic Carbene) Ligands on Enantioselectivity in Pd-Catalyzed Asymmetric Aryl-Aryl Cross-Coupling, COA of Formula: C11H10O, the publication is Organometallics (2022), 41(6), 811-819, database is CAplus.

New biaryl-bridged bis(N-heterocylic carbene) Pd complexes were synthesized and applied in asym. Suzuki cross-coupling of aryl halide and aryl boronic acid. X-ray crystallog. studies of square-planar Pd complexes of four of these bis(NHC) ligands revealed that the dihedral angle of the bridging biaryl moiety depends on its identity and lies 79.65-92.69°. A linear correlation between the dihedral angle in these Pd complexes and cross-coupling enantioselectivity is 1st reported. Also, larger C_carbene-Pd-C_carbene bite angles lead to increased enantioselectivity in a 1st fast and then slow growing tendency.

Organometallics 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 C10H7NO3, COA of Formula: C11H10O.

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

Shi, Jiale published the artcileBoron carbonitride photocatalysts for direct decarboxylation: the construction of C(sp³)-N or C(sp³)-C(sp²) bonds with visible light, Safety of 2-Methoxynaphthalene, the publication is Green Chemistry (2021), 23(11), 3945-3949, database is CAplus.

A metal-free protocol was established for the decarboxylative N-H or C(sp₂₎-H functionalization of acids via metal-free boron carbon nitride (BCN) photocatalysis, delivering the desired products under ambient conditions. This methodol.was applicable to the late-stage modification of pharmaceutical mols. and gram-scale experiments as well as in the recovery and reuse of the photocatalysts without the loss of reactivity. The developed photochem. reaction system fulfills the requirements of green and sustainable chem.

Green Chemistry 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 C7H4BrClO2, Safety of 2-Methoxynaphthalene.

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

Jacob, Nicolas published the artcileCobalt-Catalyzed Enantioselective C-H Arylation of Indoles, Recommanded Product: 2-Methoxynaphthalene, the publication is Journal of the American Chemical Society (2022), 144(2), 798-806, database is CAplus and MEDLINE.

Herein, the unprecedented earth-abundant 3D-metal-catalyzed atroposelective direct arylation was reported, furnishing rare atropoisomeric C2-arylated indoles. Kinetic studies and DFT computation revealed an uncommon mechanism for this asym. transformation, with the oxidative addition being the rate- and enantio-determining step. Excellent stereoselectivities were reached (up to 96% ee), while using an unusual N-heterocyclic carbene-ligand bearing essential remote substituent. Attractive dispersion interactions along with pos. C-H—π interactions exerted by the ligand were identified as key factors to guarante the excellent enantioselection.

Journal of the American Chemical Society 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, Recommanded Product: 2-Methoxynaphthalene.

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