Author: tianli

Zhang, Zhenzhen published the artcileSilver-Mediated N-Trifluoromethylation of Amides and Peptides, Recommanded Product: ((3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4′,5′-d]pyran-3a-yl)methanol, the publication is Chinese Journal of Chemistry (2020), 38(9), 924-928, database is CAplus.

The direct N-trifluoromethylation of N-H amides was reported. Promoted by AgOTf and 2-fluoropyridine, the reaction of a variety of amides with Selectfluor, TMSCF₃ and CsF proceeded smoothly at room temperature leading to the corresponding N-trifluoromethylated products in satisfactory yields. The protocol was also applicable to amino acid derivatives, resulting in efficient and chemoselective N-trifluoromethylation of di- and tri-peptides with retention of configuration. A mechanism involving reductive elimination of Ag(III) intermediates to form N-CF₃ bonds was proposed.

Chinese Journal of Chemistry published new progress about 20880-92-6. 20880-92-6 belongs to alcohols-buliding-blocks, auxiliary class Other Aliphatic Heterocyclic,Chiral,Alcohol, name is ((3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4′,5′-d]pyran-3a-yl)methanol, and the molecular formula is C28H41N7O4, Recommanded Product: ((3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4′,5′-d]pyran-3a-yl)methanol.

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

Su, Dan published the artcileAroma effects of key volatile compounds in Keemun black tea at different grades: HS-SPME-GC-MS, sensory evaluation, and chemometrics, Synthetic Route of 90-64-2, the publication is Food Chemistry (2022), 373(Part_B), 131587, database is CAplus and MEDLINE.

The present study aimed to explore the relationship between the grade and the characteristic aroma in Keemun black tea (KBT). Headspace solid-phase microextraction (HS-SPME), gas chromatog.-mass spectrometry (GC-MS), sensory evaluation, and chemometrics were employed to determine the changes in the flavor evolution of KBT at grade. The results showed that a total of 110 volatile components were identified. Linalool and linalool oxide were dominant. The orthogonal partial least squares discriminant anal. (OPLS-DA) combined with relative odor activity value (rOAV > 0.1) revealed that 11 volatile components were the key volatile compounds of KBT, such as benzeneacetaldehyde (rOAV: 3.43-5.96) and Me salicylate (rOAV: 2.15 – 2.50). Furthermore, the partial least squares (PLS) model indicated that geraniol, linalool, and Me salicylate benefited from the reservation of floral flavor of Keemun aroma characteristic of KBT. The findings presented in this thesis add to our understanding of KBT at different grades.

Food Chemistry published new progress about 90-64-2. 90-64-2 belongs to alcohols-buliding-blocks, auxiliary class Carboxylic acid,Benzene,Alcohol,Natural product, name is 2-Hydroxy-2-phenylacetic acid, and the molecular formula is C11H8N2O2, Synthetic Route of 90-64-2.

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

Su, Dan published the artcileAroma effects of key volatile compounds in Keemun black tea at different grades: HS-SPME-GC-MS, sensory evaluation, and chemometrics, Synthetic Route of 106-25-2, the publication is Food Chemistry (2022), 373(Part_B), 131587, database is CAplus and MEDLINE.

The present study aimed to explore the relationship between the grade and the characteristic aroma in Keemun black tea (KBT). Headspace solid-phase microextraction (HS-SPME), gas chromatog.-mass spectrometry (GC-MS), sensory evaluation, and chemometrics were employed to determine the changes in the flavor evolution of KBT at grade. The results showed that a total of 110 volatile components were identified. Linalool and linalool oxide were dominant. The orthogonal partial least squares discriminant anal. (OPLS-DA) combined with relative odor activity value (rOAV > 0.1) revealed that 11 volatile components were the key volatile compounds of KBT, such as benzeneacetaldehyde (rOAV: 3.43-5.96) and Me salicylate (rOAV: 2.15 – 2.50). Furthermore, the partial least squares (PLS) model indicated that geraniol, linalool, and Me salicylate benefited from the reservation of floral flavor of Keemun aroma characteristic of KBT. The findings presented in this thesis add to our understanding of KBT at different grades.

Food Chemistry 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 C6H13NO2, Synthetic Route of 106-25-2.

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

Li, Na published the artcileDesign, synthesis and preliminary evaluation of novel imperatorin derivatives as vasorelaxant agents, SDS of cas: 101-98-4, the publication is Medicinal Chemistry (2011), 7(1), 18-23, database is CAplus and MEDLINE.

A series of novel imperatorin derivatives (I) were synthesized from com. available xanthotoxin. The in vitro pharmacol. evaluation indicated that all of the compounds possessed potent vasodilatory activity. Among them, compounds (5b) (I, R = allyl), (5d) (I, R = -CH₂CH₂piperidinyl) and (5e) (I, R = -CH₂CH₂azepanyl) exhibited higher vasodilatory activity (with EC₅₀ values of 0.68 μM, 0.59 μM and 0.49 μM, resp.) than imperatorin (EC₅₀ = 1.12 μM). The program Volsurf was used to predict the derivatives’ ADME-relevant descriptors. The results suggested that these novel compounds had a potential interest for the development of novel and potent vasorelaxant agents.

Medicinal Chemistry published new progress about 101-98-4. 101-98-4 belongs to alcohols-buliding-blocks, auxiliary class Amine,Benzene,Alcohol, name is 2-(Benzyl(methyl)amino)ethanol, and the molecular formula is C10H15NO, SDS of cas: 101-98-4.

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

Wang, Yinling published the artcileCeCl₃-promoted simultaneous photocatalytic cleavage and amination of Cα-Cβ bond in lignin model compounds and native lignin, Safety of 2-Phenoxy-1-phenylpropane-1,3-diol, the publication is CCS Chemistry (2020), 2(3), 107-117, database is CAplus.

It remains challenging to achieve valuable platform chems. from lignin because of its complicated polymeric structure and inherent inert chem. activities. So far, only a few examples have been reported for the selective cleavage of C-C bonds in lignin due to their intrinsic inertness and ubiquity. Here, we present a simple and com. available cerium(III) chloride (CeCl₃)-promoted photocatalytic depolymerization strategy to realize the simultaneous cleavage and amination of Cα-Cβ bond in a variety of lignin model compounds at room temperature This procedure does not require any pretreatments and breakdown of C-O bonds or loss of γ-CH₂OH group to generate aldehydes (up to 97%) and N-containing products (up to 95%) in good to excellent yields. Addnl., this CeCl₃-based photocatalyst system could maintain excellent catalytic performance even after 10 sequential cycles with new starting materials. Moreover, this approach realizes the precise control over the reaction via switching the external light stimuli on/off. Further, this method is effective for the depolymerization of real lignin, thus affording the corresponding cleavage and amination products of Cα-Cβ bonds.

CCS Chemistry published new progress about 70110-65-5. 70110-65-5 belongs to alcohols-buliding-blocks, auxiliary class Benzene,Alcohol,Ether,Benzene Compounds, name is 2-Phenoxy-1-phenylpropane-1,3-diol, and the molecular formula is C18H12FN, Safety of 2-Phenoxy-1-phenylpropane-1,3-diol.

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

Li, Xuan published the artcileBBr₃-Assisted Preparation of Aromatic Alkyl Bromides from Lignin and Lignin Model Compounds, Recommanded Product: 2-Phenoxy-1-phenylpropane-1,3-diol, the publication is Journal of Organic Chemistry (2018), 83(18), 11019-11027, database is CAplus and MEDLINE.

For the first time, BBr₃-assisted nucleophilic substitution was applied to a variety of β-O-4 and α-O-4 model compounds for the highly effective cleavage of different C-O bonds, including C-O_α-OH, C_β-O/C_α-O and C_Me-O bonds (<0.5 h and >99% conversion for most cases). Without any pretreatment, the substitution proceeds at room temperature in the absence of any catalyst, or additive, selectively affording phenols and important organic synthesis reagents, aromatic alkyl bromides, in high to excellent yields (up to 98%). Preliminary studies also highlight the prospect of this method for the effective cleavage of different types of C-O bonds in real lignin. A total 14 wt % yield of aromatic alkyl bromide, 4-(1,2-dibromo-3-hydroxypropyl)benzene-1,2-diol (10), has been obtained from an extracted lignin through this method.

Journal of Organic Chemistry published new progress about 70110-65-5. 70110-65-5 belongs to alcohols-buliding-blocks, auxiliary class Benzene,Alcohol,Ether,Benzene Compounds, name is 2-Phenoxy-1-phenylpropane-1,3-diol, and the molecular formula is C15H16O3, Recommanded Product: 2-Phenoxy-1-phenylpropane-1,3-diol.

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

Xie, Zhi-Hui published the artcileEffects of molecular structure on organic contaminants′ degradation efficiency and dominant ROS in the advanced oxidation process with multiple ROS, Computed Properties of 80-09-1, the publication is Environmental Science & Technology (2022), 56(12), 8784-8795, database is CAplus and MEDLINE.

In this study, the previously overlooked effects of contaminants′ mol. structure on their degradation efficiencies and dominant reactive oxygen species (ROS) in advanced oxidation processes (AOPs) are investigated with a peroxymonosulfate (PMS) activation system selected as the typical AOP system. Averagely, degradation efficiencies of 19 contaminants are discrepant in the CoCaAl-LDO/PMS system with production of SO₄^•-, ^•OH, and ¹O₂. D. functional theory calculations indicated that compounds with high E_HOMO, low-energy gap (ΔE = E_LUMO – E_HOMO), and low vertical ionization potential are more vulnerable to be attacked. Further anal. disclosed that the dominant ROS was the same one when treating similar types of contaminants, namely SO₄^•-, ¹O₂, ¹O₂, and ^•OH for the degradation of CBZ-like compounds, SAs, bisphenol, and triazine compounds, resp. This phenomenon may be caused by the contaminants′ structures especially the commonly shared or basic parent structures which can affect their effective reaction time and second-order rate constants with ROS, thus influencing the contribution of each ROS during its degradation Overall, the new insights gained in this study provide a basis for designing more effective AOPs to improve their practical application in wastewater treatment.

Environmental Science & Technology published new progress about 80-09-1. 80-09-1 belongs to alcohols-buliding-blocks, auxiliary class Ploymers, name is 4,4′-Sulfonyldiphenol, and the molecular formula is C11H19N, Computed Properties of 80-09-1.

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

Fan, Xiaodong published the artcileVisible light-induced deoxygenation/cyclization of salicylic acid derivatives and aryl acetylene for the synthesis of flavonoids, Name: 1-Hydroxy-2-naphthoic acid, the publication is Chemical Communications (Cambridge, United Kingdom) (2022), 58(43), 6348-6351, database is CAplus and MEDLINE.

A visible-light-induced photocatalytic strategy for the synthesis of flavonoids was developed through the deoxygenative/cyclization reaction of salicylic acid derivatives with aryl acetylene using di-Ph sulfide as an O-transfer reagent. Based on the controlled experiments, the mechanism of visible-light-induced free radical coupling cyclization was proposed. The protocol obtained 51 flavonoids in good yields and was successfully applied to the synthesis of some natural flavones.

Chemical Communications (Cambridge, United Kingdom) 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, Name: 1-Hydroxy-2-naphthoic acid.

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

Withall, David M. published the artcileStereochemistry and Mechanism of Undecylprodigiosin Oxidative Carbocyclization to Streptorubin B by the Rieske Oxygenase RedG, Application In Synthesis of 57044-25-4, the publication is Journal of the American Chemical Society (2015), 137(24), 7889-7897, database is CAplus and MEDLINE.

The prodiginines are a group of specialized metabolites that share a 4-methoxypyrrolyldipyrromethene core structure. Streptorubin B is a structurally remarkable member of the prodiginine group produced by Streptomyces coelicolor A3(2) and other actinobacteria. It is biosynthesized from undecylprodigiosin by an oxidative carbocyclization catalyzed by the Rieske oxygenase-like enzyme RedG. Undecylprodigiosin derives from the RedH-catalyzed condensation of 2-undecylpyrrole and 4-methoxy-2, 2′-bipyrrole-5-carboxaldehyde (MBC). To probe the mechanism of the RedG-catalyzed reaction, we synthesized 2-(5-pentoxypentyl)-pyrrole, an analog of 2-undecylpyrrole with an oxygen atom next to the site of C-C bond formation, and fed it, along with synthetic MBC, to Streptomyces albus expressing redH and redG. This resulted in the production of the 6′-oxa analog of undecylprodigiosin. In addition, a small amount of a derivative of this analog lacking the n-pentyl group was produced, consistent with a RedG catalytic mechanism involving hydrogen abstraction from the alkyl chain of undecylprodigiosin prior to pyrrole functionalization. To investigate the stereochem. of the RedG-catalyzed oxidative carbocyclization, [7′-²H](7’R)-2-undecylpyrrole and [7′-²H](7’S)-2-undecylpyrrole were synthesized and fed sep., along with MBC, to S. albus expressing redH and redG. Anal. of the extent of deuterium incorporation into the streptorubin B produced in these experiments showed that the pro-R hydrogen atom is abstracted from C-7′ of undecylprodigiosin and that the reaction proceeds with inversion of configuration at C-7′. This contrasts sharply with oxidative heterocyclization reactions catalyzed by other nonheme iron-dependent oxygenase-like enzymes, such as isopenicillin N synthase and clavaminate synthase, which proceed with retention of configuration at the carbon center undergoing functionalization.

Journal of the American Chemical Society published new progress about 57044-25-4. 57044-25-4 belongs to alcohols-buliding-blocks, auxiliary class Epoxides,Chiral,Aliphatic hydrocarbon chain,Alcohol, name is (R)-Oxiran-2-ylmethanol, and the molecular formula is C13H26N2, Application In Synthesis of 57044-25-4.

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

Mohamedshah, Zulfiqar published the artcileBioaccessibility, gut microbial metabolism and intestinal transport of phenolics from 100% Concord grape juice and whole grapes are similar in a simulated digestion and fecal fermentation model, Application of 3-Hydroxyphenylacetic acid, the publication is Food & Function (2022), 13(8), 4315-4330, database is CAplus and MEDLINE.

Phenolic rich 100% grape juice has been associated with many health benefits, but its place in dietary guidance is controversial relative to whole fruit. Direct comparisons of phenolic profiles and bioavailability between these food forms are needed. Phenolic bioaccessibility and metabolism from Concord (CG) and Niagara (NG) grapes and corresponding 100% juices were investigated using an in vitro digestion coupled with anaerobic gut fermentation model. Intestinal transport of resulting bioaccessible phenolics and microbial metabolites was estimated using a Caco-2 cell model. Total bioaccessible phenolics from both upper and lower digestion were similar (P > 0.05) between NG (400.9 ± 26.3 μmol per 100 g) and NGJ (349.5 ± 8.3 μmol per 100 g) and significantly different (P < 0.05) between CG (417.2 ± 24.4 μmol per 100 g) and CGJ (294.3 ± 45.4 μmol per 100 g) total cellular transport of phenolics was similar (P > 0.05) between whole grapes (89.4 ± 5.3 μmol per 100 g for CG, and 71.8 ± 2.4 μmol per 100 g for NG) and 100% juices (88.0 ± 5.6 μmol per 100 g for CGJ, and 85.3 ± 9.4 μmol per 100 g for NGJ). Differences were observed between the location of phenolic metabolism, bioaccessibility and subsequent cellular transport of individual phenolics between grapes and juice matrixes. Specifically, greater amounts of phenolics were transported from grape juices than whole grapes from the upper tract. However, cumulative bioaccessibility and transport from upper and lower GI digestion/fermentation together indicates that the absorbable phenolics from 100% grape juice is similar to that of whole grapes, suggesting that phenolic-mediated health benefits from consumption of whole fruit and juice may be similar.

Food & Function published new progress about 621-37-4. 621-37-4 belongs to alcohols-buliding-blocks, auxiliary class Carboxylic acid,Benzene,Phenol,Natural product, name is 3-Hydroxyphenylacetic acid, and the molecular formula is C8H8O3, Application of 3-Hydroxyphenylacetic acid.

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