Tag: M.W=150-200

Lim, Hyun-Hee published the artcileFlavor components in tobacco capsules identified through non-targeted quantitative analysis, HPLC of Formula: 106-25-2, the publication is Journal of Mass Spectrometry (2022), 57(2), e4811, database is CAplus and MEDLINE.

Tobacco flavors increase the attractiveness of a tobacco brand and ultimately promote addiction. Information about what flavor and how much flavor is in flavor capsules can provide an effective way to regulate tobacco flavor. In this study, 128 flavor chems. were identified and quantified by gas chromatog.-mass spectrometry using libraries and authentic standards Validation of the developed method was performed for interference, detection limits, calibration curves, accuracy, and precision. Menthol was the main ingredient in all capsules, and the carcinogenic pulegone was detected. Detected menthofuran, benzyl alc., geraniol, and eugenol cause toxic or severe irritation, and detected lactones can increase nicotine addiction by inhibiting nicotine metabolism in smokers. Margin of exposures for carcinogenic pulegone and non-carcinogenic menthol were well below safety thresholds, indicating a significant risk of inhalation exposure. It is desirable to prohibit the use of flavor capsules in consideration of human risk.

Journal of Mass Spectrometry published new progress about 106-25-2. 106-25-2 belongs to alcohols-buliding-blocks, auxiliary class Natural product, name is cis-3,7-Dimethyl-2,6-Octadien-1-Ol, and the molecular formula is C10H18O, HPLC of Formula: 106-25-2.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Shehaj, Livia published the artcileSmall-Molecule Inhibitors of Haemophilus influenzae IgA1 Protease, SDS of cas: 30165-97-0, the publication is ACS Infectious Diseases (2019), 5(7), 1129-1138, database is CAplus and MEDLINE.

Newly identified, nontypable Haemophilus influenzae (H. influenza) strains represent a serious threat to global health. Due to the increasing prevalence of antibiotic resistance, virulence factors have emerged as potential therapeutic targets that would be less likely to promote resistance. IgA1 proteases are secreted virulence factors of many Gram-neg. human pathogens. These enzymes play important roles in tissue invasion as well as evasion of the immune response, yet there has been limited work on pharmacol. inhibitors. Here, we report the discovery of the first small mol., nonpeptidic inhibitors of H. influenzae IgA1 proteases. We screened over 47 000 compounds in a biochem. assay using recombinant protease and identified a hit compound with micromolar potency. Preliminary structure-activity relationships produced addnl. inhibitors, two of which showed improved inhibition and selectivity for IgA protease over other serine proteases. We further showed dose-dependent inhibition against four different IgA1 protease variants collected from clin. isolates. These data support further development of IgA protease inhibitors as potential therapeutics for antibiotic-resistant H. influenza strains. The newly discovered inhibitors also represent valuable probes for exploring the roles of these proteases in bacterial colonization, invasion, and infection of mucosal tissues.

ACS Infectious Diseases published new progress about 30165-97-0. 30165-97-0 belongs to alcohols-buliding-blocks, auxiliary class Morpholine,Thiadiazole,Alcohol, name is 4-Morpholino-1,2,5-thiadiazol-3-ol, and the molecular formula is C17H19N3O6, SDS of cas: 30165-97-0.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Kristensen, Mette published the artcileOptimization and validation of a derivatization method with boron trifluoride in ethanol for analysis of aromatic carboxylic acids in water, Synthetic Route of 86-48-6, the publication is Journal of Chromatography A (2019), 21-26, database is CAplus and MEDLINE.

Gas-chromatog. (GC) anal. of carboxylic acids is limited by the high polarity and low volatility of most of these compounds Boron trifluoride (BF₃) mediated alkylation reactions is one of the most commonly used derivatization methods for making carboxylic acids GC compatible. A semi-automated BF₃-EtOH (ethanol) derivatization method was optimized for comprehensive two-dimensional gas chromatog. high-resolution mass spectrometry (GC × GC-HR MS) anal. of carboxylic acids in solid phase extraction (SPE) extracts of oil-polluted water. The optimal derivatization method were found to be with addition of 300 μL BF₃-EtOH per 200 μL sample and reaction at 75° for 24 h. Derivatives of eight selected acids (aliphatic, mono- and diarom.) were stable over 12 h with relative standard deviations (RSDs) of 2.0-10.7%, the derivatization method was repeatable (RSDs of 3.2-17.2%), detection limits (DL) and limit of detections (LODs) was in the range of DL = 0.53-1.63 ppb and LOD = 0.19-2.51 ppb for pure acid standards, and DL = 0.18-3.41 ppb and LOD = 0.28-5.46 ppb for matrix matched acid standards Finally, the method was validated on the acidic fraction of a mixed anion-exchange SPE of oil polluted water. Thousands of degradation products from parent alkylated polycyclic aromatic hydrocarbons (PAHs) and aliphatic hydrocarbons, such as aliphatic acids and mono-, di-, and triarom. acids were analyzed by the applied method and compound groups were tentatively identified.

Journal of Chromatography A published new progress about 86-48-6. 86-48-6 belongs to alcohols-buliding-blocks, auxiliary class Organic Pigment,Natural product, name is 1-Hydroxy-2-naphthoic acid, and the molecular formula is C11H8O3, Synthetic Route of 86-48-6.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Huffman, Benjamin J. published the artcileStereodivergent Attached-Ring Synthesis via Non-Covalent Interactions: A Short Formal Synthesis of Merrilactone A, Formula: C9H22OSi, the publication is Angewandte Chemie, International Edition (2022), 61(3), e202114514, database is CAplus and MEDLINE.

A strategy to control the diastereoselectivity of bond formation at a prochiral attached-ring bridgehead was reported. An unusual stereodivergent Michael reaction relied on basic vs. Lewis acidic conditions and non-covalent interactions to control re- vs. si- facial selectivity en route to fully substituted attached-rings. This divergency reflected differential engagement of one rotational isomer of the attached-ring system. The successful synthesis of an erythro subtarget diastereomer ultimately leads to a short formal synthesis of merrilactone A.

Angewandte Chemie, International Edition published new progress about 17877-23-5. 17877-23-5 belongs to alcohols-buliding-blocks, auxiliary class Protection and Derivatization Reagent, name is Triisopropylsilanol, and the molecular formula is C9H22OSi, Formula: C9H22OSi.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Noh, Chanho published the artcileOptimization of iron and cobalt based organometallic redox couples for long-term stable operation of aqueous organometallic redox flow batteries, Product Details of C9H21NO3, the publication is Journal of Power Sources (2021), 229799, database is CAplus.

The optimal electrolyte condition for iron (Fe) and cobalt (Co) coordinated with Triisopropanolamine (TiPA) and 3-[Bis(2-hydroxyethyl)amino]-2-hydroxypropanesulfonic acid (DIPSO) is suggested for aqueous organometallic redox flow batteries (AMORFBs), while best combination for improving its long-term stability is determined Co(TiPA) is optimal catholyte due to excellent redox reactivity and stability, while such benefits are proved by the comparison of formation constant which is proportional to the strength of coordination bonds within metal complex. That of Co(TiPA) is 10.8 times higher than that of Co(DIPSO) that is a competitor for catholyte. Regarding anolyte, Fe(DIPSO) formed by 1:1.5 mol ratio of Fe ion to DIPSO ligand is more stable than Fe(TiPA) that is a competitor for anolyte. The stability is exptl. verified by linear sweep voltamogram. According to the measurements, In Fe(DIPSO), potential required for the solidification of Fe ions, which causes the performance degradation of AMORFB, is placed more neg. than that required in Fe(TiPA). This indicates the when Fe(DIPSO) is used, the stable cut-off voltage range for AMORFB tests is extended with its performance improvement. Furthermore, since the solidified Fe further acts as catalyst for undesirable hydrogen evolution reaction, retarding the solidification of Fe ions enhances the performance and stability of AMORFB. In in-situ AMORFB cell tests performed to validify the electrochem. evaluations of metal complexes, the stability of AMORFB using Co(TiPA) and Fe(DIPSO) is best. Regarding its performance, charge capacity is high as 15.5 Ah L^-1, while its capacity loss rate is low as 0.018 Ah L^-1cyc^-1 for 100 cycles.

Journal of Power Sources published new progress about 122-20-3. 122-20-3 belongs to alcohols-buliding-blocks, auxiliary class Organic Pigment, name is Triisopropanolamine, and the molecular formula is C9H21NO3, Product Details of C9H21NO3.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Noh, Chanho published the artcileHighly stable aqueous organometallic redox flow batteries using cobalt triisopropanolamine and iron triisopropanolamine complexes, Recommanded Product: Triisopropanolamine, the publication is Chemical Engineering Journal (Amsterdam, Netherlands) (2021), 126966, database is CAplus.

Two metal-organic complexes consisting of new triisopropanolamine (TiPA) ligand and two transition cobalt (Co) and iron (Fe) metals (Co(TiPA) and Fe(TiPA)) are suggested and used as redox couple for redox flow battery (RFB) with potassium hydroxide (KOH) electrolyte. The redox reactivity of Co(TiPA) and Fe(TiPA) adopting TiPA ligand is measured and their reaction mechanism is compared with that of complexes containing triethanolamine (TEA) ligand (Co(TEA) and Fe(TEA)) that are conventionally considered. According to evaluations, the reaction rate of all complexes is controlled by their diffusion rate. In a comparison of the complexes, that of TEA complexes is faster than that of TiPA complexes. This means that the viscosity of TEA complexes is lower than that of TiPA complexes. However, regarding the stability in KOH, the stability of TiPA complexes is much better than that of TEA complexes, enabling the stable redox reactions over a long period. Considering the reduction potential of complexes and their stabilization constant, TiPA complexes have a higher stabilization constant than TEA complexes because the redox reaction of TiPA complexes is stably performed, whereas the Fe ions of Fe(TEA) are precipitated for charging process and the preciptation induces irreversible reaction in KOH. This is confirmed by the solidified Fe atoms observed onto carbon felt after RFB test. When the performance of RFB using Co(TiPA) and Fe(TiPA) is measured, its capacity retention is well maintained for 100 cycle (298 h), while this RFB shows superior energy efficiency (77% at 40 mA cm^-2) and power d. (81.3 mW cm^-2 at 160 mA cm^-2).

Chemical Engineering Journal (Amsterdam, Netherlands) published new progress about 122-20-3. 122-20-3 belongs to alcohols-buliding-blocks, auxiliary class Organic Pigment, name is Triisopropanolamine, and the molecular formula is C9H21NO3, Recommanded Product: Triisopropanolamine.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Ertas, Merve published the artcileSynthesis and characterization of conducting copolymers of succinic acid bis-(4-pyrrol-1-yl-phenyl) ester and their electrochromic properties, Computed Properties of 23351-09-9, the publication is Synthetic Metals (2004), 143(1), 49-58, database is CAplus.

A new dipyrrolyl monomer was synthesized via the reaction between 4-pyrrol-1-yl phenol and butanedioyl dichloride. The electrochem. behavior of this monomer, succinic acid bis(4-pyrrol-1-yl-phenyl) ester (SM) was studied. Homopolymerization was achieved by chem. and constant current electrolysis methods. Copolymerization of SM with thiophene was performed by constant potential electrolysis in acetonitrile-tetrabutylammonium tetrafluoroborate (TBAFB) and dichloromethane-TBAFB, solvent-electrolyte couples. The chem. structure was investigated by NMR spectroscopy and Fourier-transform IR spectroscopy. Thermal analyses were studied by differential scanning calorimetry and thermal gravimetry anal. The morphologies of the films were examined by SEM. Conductivities of the samples were measured using a four-probe technique. Moreover, the spectroelectrochem. and electrochromic properties of SM/thiophene copolymer were investigated using a UV-visible spectrophotometer and colorimetry.

Synthetic Metals published new progress about 23351-09-9. 23351-09-9 belongs to alcohols-buliding-blocks, auxiliary class Pyrrole,Benzene,Alcohol, name is 4-(1H-Pyrrol-1-yl)phenol, and the molecular formula is C10H9NO, Computed Properties of 23351-09-9.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Varga, Vojtech published the artcileEvaluation of the Oxygen π-Donation in Permethyltitanocene Silanolates and Alcoholates, Application of Triisopropylsilanol, the publication is Organometallics (2009), 28(6), 1748-1757, database is CAplus.

[Cp^*₂Ti(III)OR’] where R’ is ⁱPr₃Si (2), Ph₃Si (3), (^tBuO)₃Si (4), (c-C₅H₉)₇Si₈O₁₂ (5), and ^tBu (6) were prepared by protolysis of the Ti-methylene bond in singly tucked-in permethyltitanocene [Cp^*Ti(III)(η⁵:η¹-C₅Me₄CH₂)] with the resp. silanols or tert-BuOH. Their electronic transitions from the ground-state mols. to their 1st excited states (dominantly a 1a₁ → b₂ transition) occur in the range 1300-1800 nm, originating from π-donation from O lone pair electrons to the Ti-O bond (as found by Andersen et al. J. Am. Chem. Soc. 1996, 118, 1719). The x-ray crystal structures of 2–4 and 6 revealed that steric effects of substituents R’ change the geometry of the titanocene moiety only negligibly. DFT calculations of the 1a₁ → b₂ transition for optimized structures of 2, 4, 6, [Cp^*₂Ti(III)OH] (7), and [Cp^*₂Ti(III)OMe] (8) reproduced the dependence of exptl. λ(1a₁ → b₂) on electron donation/attraction properties of R’ and revealed that the decrease of the O π-donation is accompanied with an increase in neg. natural charge on the OR’ group. The observed increase of λ_exp(1a₁ → b₂) in the order of substituents R’, Me < ^tBu < H < Ph < SiⁱPr₃ < SiPh₃ approx. Si(O^tBu)₃ < (c-C₅H₉)₇Si₈O₁₂ (SIPOSS cluster), thus indicates the decrease of Ti-O π-interaction with an increased polarity of the Ti-O bond. The DFT calculations of 7 with the naturally bent and collinear Ti-O-H conformation showed only a small effect of bending on the O π-donation.

Organometallics published new progress about 17877-23-5. 17877-23-5 belongs to alcohols-buliding-blocks, auxiliary class Protection and Derivatization Reagent, name is Triisopropylsilanol, and the molecular formula is C19H17N2NaO4S, Application of Triisopropylsilanol.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Zhao, Jian published the artcileDiscovery of substituted 3H-pyrido[2,3-d]pyrimidin-4-ones as potent, biased, and orally bioavailable sst2 agonist, Application In Synthesis of 1256345-79-5, the publication is Bioorganic & Medicinal Chemistry Letters (2020), 30(21), 127496, database is CAplus and MEDLINE.

The discovery of a novel 3H-pyrido[2,3-d]pyrimidin-4-one series as potent and biased sst2 agonists is described. This class of mols. exhibits excellent sst2 potency and selectivity against sst1, sst3, and sst5 receptors, and they are significantly more potent at inhibiting cAMP production than inducing internalization. The orally bioavailable 6-(3-chloro-5-methylphenyl)-3-(3-fluoro-5-hydroxyphenyl)-5-({methyl[(2S)-pyrrolidin-2-ylmethyl]amino}methyl)-3H,4H-pyrido[2,3-d]pyrimidin-4-one (36) also suppresses GH secretion in GHRH-challenged rats in a dose-dependent manner.

Bioorganic & Medicinal Chemistry Letters published new progress about 1256345-79-5. 1256345-79-5 belongs to alcohols-buliding-blocks, auxiliary class Boronic acid and ester,Benzene,Phenol,Boronic Acids,Boronic Acids,Boronic acid and ester, name is (3-Hydroxy-5-methylphenyl)boronic acid, and the molecular formula is C10H9NO4S, Application In Synthesis of 1256345-79-5.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Feng, Yan published the artcileGas chromatography-mass spectrometry analysis of floral fragrance-related compounds in scented rose (Rosa hybrida) varieties and a subsequent evaluation on the basis of the analytical hierarchy process, Recommanded Product: cis-3,7-Dimethyl-2,6-Octadien-1-Ol, the publication is Plant Physiology and Biochemistry (Issy-les-Moulineaux, France) (2022), 368-377, database is CAplus and MEDLINE.

Scented rose (Rosa hybrida) varieties are valued as ornamentals, but they also contain volatile organic compounds (VOCs) that produce pleasant aromas. In plants, aromas are produced via metabolism during growth, and each aroma compound has a unique function. In this study, the floral aroma compounds of diverse scented rose varieties were analyzed and classified. The VOCs of different rose varieties were qual. and quant. analyzed via headspace solid-phase microextraction combined with gas chromatog. and mass spectrometry. The test materials were the mature flowers of 55 scented rose varieties that were cultivated under identical conditions. Seventeen important aroma compounds were selected and an anal. hierarchy process (AHP)-based method was developed to identify the most suitable essential oil resources, aromatherapy resources, and healthcare resources. A floral fragrance evaluation model was established for the comprehensive evaluation of the scented rose varieties. The 55 varieties were classified into three grades according to their suitability for each use. ′Soeur Emmanuelle′, ′Wollerton Old Hall′, ′Accademia′, and ′Tianmidemeng′ were revealed to be suitable essential oil, aromatherapy, and healthcare resources. On the basis of their aroma compound types, the fifty-five rose varieties were divided into eight groups. The results of this study provide the theor. basis for the classification of rose flower aromas as well as the rational use of diverse rose varieties to further develop the rose industry. nerol, geraniol, citronellol, phenethyl alc., trans-3-hexenyl acetate, 1,3,5-Trimethoxybenzene , phenylethanol acetate, vanillin ace-tate,citronellyl acetate, neryl acetate, hexyl acetate, 3,5-Dimethoxyben-zoic, α-elemene, β-elemene, γ-elemene and myrcene

Plant Physiology and Biochemistry (Issy-les-Moulineaux, France) published new progress about 106-25-2. 106-25-2 belongs to alcohols-buliding-blocks, auxiliary class Natural product, name is cis-3,7-Dimethyl-2,6-Octadien-1-Ol, and the molecular formula is C10H18O, Recommanded Product: cis-3,7-Dimethyl-2,6-Octadien-1-Ol.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts