Tag: M.W=100-150

Go, Su Yong published the artcileA Unified Synthetic Strategy to Introduce Heteroatoms via Electrochemical Functionalization of Alkyl Organoboron Reagents, SDS of cas: 597-52-4, the publication is Journal of the American Chemical Society (2022), 144(20), 9149-9160, database is CAplus and MEDLINE.

Based on systematic electrochem. anal., an integrated synthetic platform of C(sp³)-based organoboron compounds was established for the introduction of heteroatoms. The electrochem. mediated bond-forming strategy is highly effective for the functionalization of sp³-hybridized C atoms with significant steric hindrance. Also, virtually all the nonmetallic heteroatoms could be used as reaction partners using one unified protocol. The observed reactivity stems from the two consecutive single-electron oxidations of the substrate, which eventually generates an extremely reactive carbocation as the key intermediate. The detailed reaction profile could be elucidated through multifaceted electrochem. studies. Ultimately, a new dimension in the activation strategies for organoboron compounds was accomplished through the electrochem. driven reaction development.

Journal of the American Chemical Society published new progress about 597-52-4. 597-52-4 belongs to alcohols-buliding-blocks, auxiliary class Aliphatic Chain, name is Triethylsilanol, and the molecular formula is C6H16OSi, SDS of cas: 597-52-4.

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

Jin, Tong-yin published the artcileTheoretical studies on mechanism and kinetics of the hydrogen-abstraction reaction of CF₃CH₂CH₂OH with OH radical, Recommanded Product: 3,3,3-Trifluoropropan-1-ol, the publication is Computational & Theoretical Chemistry (2013), 63-75, database is CAplus.

The hydrogen abstraction reaction of CF₃CH₂CH₂OH + OH has been studied theor. by dual-level direct dynamics method. The required potential energy surface information for the kinetic calculation was obtained at the MCG3-MPWB//M06-2X/aug-cc-pVDZ level. Five stable conformers of CF₃CH₂CH₂OH have been located. For each conformer, there are three potential H-abstraction sites (Cα, Cβ and -OH), and some of the H atoms can be abstracted by more than one abstraction channel due to the different attack orientations of the incoming OH radical. As a result, 31 distinct H abstraction channels have been identified for the reaction. The individual rate constants for each H abstraction channel were calculated by the improved canonical transition-state theory with small curvature tunneling correction (ICVT/SCT), and the overall rate constant was evaluated by the Boltzmann distribution function. It is shown that the calculated rate constant is in good agreement with the available exptl. data at 298 K, and exhibits neg. temperature dependence with 200-350 K. H-abstraction from the α site dominates the reaction at low temperatures, while the contributions from the β and OH abstractions should be taken into account as temperature increases. The fitted four-parameter expressions within 200-1000 K for the overall rate constants as well as the rate constants from the α, β and OH abstractions were given to provide good estimation for future laboratory investigations. In addition, because of the lack of available exptl. data for the product radicals involved in the reactions, their enthalpies of the formation (ΔH_f,298°) were predicted via isodesmic reaction at the MCG3-MPWB//M06-2X/aug-cc-pVDZ level.

Computational & Theoretical Chemistry published new progress about 2240-88-2. 2240-88-2 belongs to alcohols-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Aliphatic hydrocarbon chain,Alcohol, name is 3,3,3-Trifluoropropan-1-ol, and the molecular formula is C3H5F3O, Recommanded Product: 3,3,3-Trifluoropropan-1-ol.

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

Li, Wen-Pei published the artcileAcid-Free Copper-Catalyzed Electrophilic Nitration of Electron-Rich Arenes with Guanidine Nitrate, Safety of 4-Propylphenol, the publication is Journal of Organic Chemistry, database is CAplus and MEDLINE.

A practical copper-catalyzed nitration of electron-rich arenes with trimethylsilyl chloride and guanidine nitrate is reported. A variety of nitrated products were generated in moderate to excellent yields (32%-99%) at ambient temperature under acid free, open-flask and operationally simple conditions.

Journal of Organic Chemistry published new progress about 645-56-7. 645-56-7 belongs to alcohols-buliding-blocks, auxiliary class Liquid Crystal &OLED Materials, name is 4-Propylphenol, and the molecular formula is C9H12O, Safety of 4-Propylphenol.

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

Li, Zhan-Ku published the artcilePretreatment of sweet sorghum stalk with aqueous hydrogen peroxide for enhancing methanolysis and property of the bio-oil, Name: 4-Propylphenol, the publication is Renewable Energy (2021), 1127-1136, database is CAplus.

Alcoholysis is a promising approach for converting biomass into fuels and/or chems. under mild conditions. However, the effect of pretreatment on biomass alcoholysis was rarely reported. Herein, the effect of pretreatment with H₂O₂ on sweet sorghum stalk (SSS) methanolysis was examined The results show that the pretreatment could markedly improve the bio-oil (BO) yield and decrease the appropriate temperature for obtaining maximum BO yield. The appropriate temperature for pretreated SSS methanolysis was determined to be 280 °C and the maximum BO yield is 44 wt%. In addition, higher heating values of the BOs were also enhanced based on elemental anal. According to anal. with gas chromatograph/mass spectrometer, phenolic compounds, esters, and sugars are predominant in the BOs, and the yield of phenolic compounds significantly increased from 91.75 to 111.68 mg·g^-1 by the pretreatment. Moreover, polar species in the BOs decreased and deoxygenation occurred during pretreated SSS methanolysis. Analyses with scanning electron microscope and N₂ physisorption reveal that pretreated SSS has more grooves and higher sp. surface area and anomalous porosity than SSS. According to analyses with Fourier transform IR spectrometer and X-ray photoelectron spectrometer, oxygen functional groups mainly in the forms of C=O and COO were introduced into SSS by the pretreatment. The changes of phys. and chem. structures should be responsible for enhancing SSS methanolysis and property of the BO.

Renewable Energy published new progress about 645-56-7. 645-56-7 belongs to alcohols-buliding-blocks, auxiliary class Liquid Crystal &OLED Materials, name is 4-Propylphenol, and the molecular formula is C9H12O, Name: 4-Propylphenol.

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

Wang, Pengxin published the artcileDearomatization-rearomatization strategy of tyrosine for peptide/protein modification through thiol-addition reactions, Computed Properties of 4410-99-5, the publication is Chemical Communications (Cambridge, United Kingdom) (2021), 57(96), 12968-12971, database is CAplus and MEDLINE.

We have developed a dearomatization-rearomatization strategy for the modification of peptides/proteins through a thiol-Michael addition to the electrophilic cyclohexadienone intermediate that is generated in situ via the oxidation of tyrosine. This strategy enriches the conjugation toolbox and has great potential for applications in medicinal chem. and chem. biol.

Chemical Communications (Cambridge, United Kingdom) published new progress about 4410-99-5. 4410-99-5 belongs to alcohols-buliding-blocks, auxiliary class Thiol,Benzene, name is 2-Phenylethanethiol, and the molecular formula is C9H8O4, Computed Properties of 4410-99-5.

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

Chutia, Rituparna published the artcileAn efficient base and H₂O₂ free protocol for the synthesis of phenols in water and oxygen using spinel CuFe₂O₄ magnetic nanoparticles, Application In Synthesis of 17236-59-8, the publication is Journal of Coordination Chemistry (2020), 73(13), 1925-1936, database is CAplus.

An efficient base and H₂O₂ free protocol was used for the synthesis of phenols from boronic acids using biogenic CuFe₂O₄ magnetic nanoparticles as catalyst at room temperature in water and oxygen. The catalyst was prepared using the flowers of Lantana camara. The size of the nanoparticles was 4.27 nm. Base free and ligand free protocol, less time, excellent yields, room temperature, biogenic synthesis of the catalyst, use of O₂ as an environmentally friendly oxidant are the advantages of the present protocol. The recyclability of the catalyst was for 5 cycles without loss of magnetic property or catalytic activity.

Journal of Coordination Chemistry published new progress about 17236-59-8. 17236-59-8 belongs to alcohols-buliding-blocks, auxiliary class Thiophene,Alcohol, name is Thiophen-3-ol, and the molecular formula is C4H4OS, Application In Synthesis of 17236-59-8.

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

Natarajan, P. N. published the artcileSynthesis and pharmacological evaluation of N-alkylamino butanol esters of 3,4,5-trimethoxybenzoic acid as potential hypotensive agents, HPLC of Formula: 4543-95-7, the publication is Canadian Journal of Pharmaceutical Sciences (1973), 8(2), 61-3, database is CAplus.

The title esters I (R = Me, Et, Pr, Me2CH, Bu) were prepared by condensing γ-butyrolactone with RNH2, reducing the resulting HO(CH2)3CONHR with LiAlH4, and esterifying the hydrochlorides of the amines formed with 3,4,5-(MeO)3C6H2COCl in C6H6 at ∼70° under N for 15-20 hr. Evaluation of I, for hypotensive activity in normotensive rats and for central nervous system activity in mice showed that I did not have any reserpine-like activity.

Canadian Journal of Pharmaceutical Sciences published new progress about 4543-95-7. 4543-95-7 belongs to alcohols-buliding-blocks, auxiliary class Amine,Aliphatic hydrocarbon chain,Alcohol, name is 4-(Butylamino)butan-1-ol, and the molecular formula is C8H19NO, HPLC of Formula: 4543-95-7.

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

Payne, China M. published the artcile5-Bromo-norborn-2-en-7-one derivatives as a carbon monoxide source for palladium catalyzed carbonylation reactions, HPLC of Formula: 622-40-2, the publication is RSC Advances (2019), 9(53), 30736-30740, database is CAplus and MEDLINE.

Norbornenone derivative, obtained from the reaction of 2,5-dimethyl-3,4-diphenylcyclopentadienone dimer with bromomaleic anhydride, provided an excellent base-triggered source of carbon monoxide for palladium-catalyzed carbonylation reactions. Aminocarbonylation, ketoamide synthesis, and Suzuki-Miyaura reactions of aryl iodides carried out in a two-chamber reaction vessel gave good to excellent yields of carbonylated products.

RSC Advances published new progress about 622-40-2. 622-40-2 belongs to alcohols-buliding-blocks, auxiliary class Morpholine,Alcohol, name is 2-Morpholinoethanol, and the molecular formula is C6H13NO2, HPLC of Formula: 622-40-2.

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

Kim, Jinwoong published the artcileComputer-aided design and synthesis of 3-carbonyl-5-phenyl-1H-pyrazole as highly selective and potent BRAFV600E and CRAF inhibitor, Product Details of C6H13NO2, the publication is Journal of Enzyme Inhibition and Medicinal Chemistry (2019), 34(1), 1314-1320, database is CAplus and MEDLINE.

BRAF belongs to the upstream portion of the MAPK pathway, which is involved in cell proliferation and survival. When mutations occur in BRAF, downstream MEK and ERK are phosphorylated irresp. of RAS, resulting in melanoma-like cancer. Over the years, small mols. targeting BRAFV600E have been discovered to be very effective melanoma drugs, but they are known to cause the BRAF paradox. Recently, it was shown that this paradox is caused by the heterodimer phenomenon of BRAF/CRAF. Here, we suggest one method by which paradoxical activation can be avoided by selectively inhibiting BRAFV600E and CRAF but not wild-type BRAF. From previous report of N-(3-(3-alkyl-1H-pyrazol-5-yl) phenyl) aryl amide as a selective inhibitor of BRAFV600E and CRAF, we present compounds that offer enhanced selectivity and efficacy with the aid of mol. modeling.

Journal of Enzyme Inhibition and Medicinal Chemistry published new progress about 622-40-2. 622-40-2 belongs to alcohols-buliding-blocks, auxiliary class Morpholine,Alcohol, name is 2-Morpholinoethanol, and the molecular formula is C6H13NO2, Product Details of C6H13NO2.

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

Tu, Ya-lin published the artcileDiscovery of lipoic acid-4-phenyl-1H-pyrazole hybrids as novel bifunctional ROCK inhibitors with antioxidant activity, Safety of 3,3,3-Trifluoropropan-1-ol, the publication is RSC Advances (2016), 6(63), 58516-58520, database is CAplus.

A series of lipoic acid (LA) and 4-phenyl-1H-pyrazole hybrids as bifunctional Rho-associated kinase (ROCK) inhibitors were designed, synthesized and evaluated. Compound 15 is identified to be a novel potent bifunctional ROCK inhibitor with antioxidant activity and neuroprotection.

RSC Advances published new progress about 2240-88-2. 2240-88-2 belongs to alcohols-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Aliphatic hydrocarbon chain,Alcohol, name is 3,3,3-Trifluoropropan-1-ol, and the molecular formula is C11H12O4, Safety of 3,3,3-Trifluoropropan-1-ol.

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