Author: tianli

Khokhar, Vaishali published the artcilePrototropic forms of hydroxy derivatives of naphthoic acid within deep eutectic solvents, Recommanded Product: 1-Hydroxy-2-naphthoic acid, the publication is Physical Chemistry Chemical Physics (2021), 23(15), 9096-9108, database is CAplus and MEDLINE.

Deep eutectic solvents (DESs) are not only recognized as benign and inexpensive alternatives to ionic liquids, they offer a unique solvation milieu due to the varying H-bonding capabilities of their constituents. Proton-transfer involving a probe and its prototropic forms strongly depend on the H-bonding nature of the solubilizing media. The presence of prototropic forms of three probes, 1-hydroxy-2-naphthoic acid (1,2-HNA), 3-hydroxy-2-naphthoic acid (3,2-HNA), and 6-hydroxy-2-naphthoic acid (6,2-HNA) is investigated in two DESs, named ChCl:urea and ChCl:glycerol, constituted of H-bond acceptor choline chloride and different H-bond donors, urea and glycerol, resp., in a 1 : 2 mol ratio under ambient conditions. While 1,2-HNA and 3,2-HNA exhibit an intramol. H-bonding ability, 6,2-HNA does not. In contrast to common polar solvents, where the monoanionic emitting form of 1,2-HNA is also supported along with the neutral one, in both the DESs only the neutral emitting form exists. Addition of acid to the two DESs, resp., fail to generate the monocationic form of the probe. Addition of a base to ChCl:urea results in the generation of the monoanionic form; even a very high strength of the base fails to generate the monoanionic emitting form in ChCl:glycerol. Relatively higher H-bond donating acidity of ChCl:glycerol results in added hydroxyl getting involved in H-bonding with alc. functionalities of ChCl:glycerol leading to the absence of proton extraction to create the monoanionic form of the probe. Only the monoanionic emitting form of 3,2-HNA is present in ChCl:urea; in ChCl:glycerol, due to its higher H-bond donor acidity, the neutral emitting form is also detected. Addition of high strength of acid to ChCl:urea does result in formation of the neutral emitting form. Addition of an aqueous base results in the formation of the dianionic form of 3,2-HNA in ChCl:urea; however, in ChCl:glycerol, the added base fails to convert the neutral form of this probe to the monoanionic form as efficiently as that in ChCl:urea. The monoanionic (carboxylate) form of 6,2-HNA exits in ChCl:urea, whereas the neutral form is present in ChCl:glycerol due to its higher H-bond donating acidity. Addition of an acid can induce a shift in prototropic equilibrium towards the neutral form of 6,2-HNA in ChCl:urea; no change is observed in the behavior of this probe in ChCl:glycerol as the acid is added. Both the DESs support the dianionic form of 6,2-HNA in the presence of the base; the added base helps extract both -OH and -COOH protons of this probe. The H-bond donor component of the DES is clearly established to play a critical role in the prototropic behavior of the probe.

Physical Chemistry Chemical Physics 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, Recommanded Product: 1-Hydroxy-2-naphthoic acid.

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

Iranpoor, Nasser published the artcileNickel-Catalyzed One-Pot Deoxygenation and Reductive Homocoupling of Phenols via C-O Activation Using TCT Reagent, Safety of Thiophen-3-ol, the publication is Organic Letters (2015), 17(2), 214-217, database is CAplus and MEDLINE.

A new method for C-O bond activation of phenolic compounds has been achieved using 2,4,6-trichloro-1,3,5-triazine (TCT) to utilize in one-pot Ni-catalyzed deoxygenation and reductive homocoupling reactions. With this simple method, phenolic compounds were converted to their corresponding arenes or biaryl compounds under mild conditions [e.g., treatment of 2-naphthol with TCT followed by NiCl₂(PCy₃)₂ and MeOH/Zn/KI afforded naphthalene (85%), and treatment of p-cresol with TCT followed by NiCl₂(PCy₃)₂ and Zn/Et₄NI afforded 4,4′-dimethylbiphenyl (84%)]. The introduced methodol. has a broad scope and demonstrates good functional group compatibility.

Organic Letters 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, Safety of Thiophen-3-ol.

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

Heravi, Majid M. published the artcileNickel-Catalyzed Deoxycyanation of Activated Phenols via Cyanurate Intermediates with Zn(CN)₂: A Route to Aryl Nitriles, Quality Control of 17236-59-8, the publication is Organic Letters (2018), 20(9), 2753-2756, database is CAplus and MEDLINE.

A novel, and efficient nickel-catalyzed deoxycyanation of phenolic compounds using relatively nontoxic Zn(CN)₂ as the cyanide source was developed. The reaction of C-O bond activated phenolic compounds by 2,4,6-trichloro-1,3,5-triazine with Zn(CN)₂ in the presence of a nickel precatalyst afforded the aromatic nitriles in good to excellent yields.

Organic Letters 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, Quality Control of 17236-59-8.

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

Hoang, Giang T. published the artcileIntramolecular Oxyacylation of Alkenes Using a Hydroxyl Directing Group, Computed Properties of 328-90-5, the publication is Journal of Organic Chemistry (2014), 79(23), 11383-11394, database is CAplus and MEDLINE.

Alkene oxyacylation is a new strategy for the preparation of β-oxygenated ketones. Now, with Ir catalysis and low-cost salicylate esters, alkene oxyacylation can be promoted by simple and versatile hydroxyl directing groups. This paper discusses catalyst optimization, substituent effects, mechanistic experiments, and the challenges associated with asym. catalysis. Crossover experiments point to several key steps of the mechanism being reversible, including the most likely enantiodetermining steps. The oxyacylation products are also prone to racemization without catalyst when heated alone; however, crossover is not observed without catalyst. These observations account for the low levels of enantioinduction in alkene oxyacylation. The versatility of the hydroxyl directing group is highlighted by demonstrating further transformations of the products.

Journal of Organic Chemistry published new progress about 328-90-5. 328-90-5 belongs to alcohols-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Carboxylic acid,Benzene,Phenol, name is 2-Hydroxy-4-(trifluoromethyl)benzoic acid, and the molecular formula is C8H5F3O3, Computed Properties of 328-90-5.

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

Feng, Qiangqiang published the artcileKey variables prediction based on mechanism models of 2-KGA mixed culture fermentation, Name: (3S,4R,5S)-3,4,5,6-Tetrahydroxy-2-oxohexanoic acid, the publication is Huagong Xuebao (Chinese Edition) (2013), 64(8), 2913-2917, database is CAplus.

2-Keto-L-gulonic acid (2-KGA), the precursor for vitamin C synthesis, is produced by the mixed culture of Ketogulonicigenium vulgare and Bacillus megaterium. In this paper, the previously established kinetic model for 2-KGA mixed culture was firstly tested with the data of 80 industrial batches. Based on sensitivity anal., it was found that some insensitive parameters might be assigned fixed values to minimize computing time. Then, the model was used to predict the most important state variables, i.e., substrate and product concentrations Moving data window technique and rolling parameter identification approach were used in the prediction process 4 h and 8 h ahead prediction errors for 2-KGA concentration were less than 5%.

Huagong Xuebao (Chinese Edition) published new progress about 526-98-7. 526-98-7 belongs to alcohols-buliding-blocks, auxiliary class Sugar Units,Other Sugar Units, name is (3S,4R,5S)-3,4,5,6-Tetrahydroxy-2-oxohexanoic acid, and the molecular formula is C6H10O7, Name: (3S,4R,5S)-3,4,5,6-Tetrahydroxy-2-oxohexanoic acid.

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

Feng, Qiangqiang published the artcileModeling on interaction of different strains in 2-KGA mixed culture fermentation, Category: alcohols-buliding-blocks, the publication is Huagong Xuebao (Chinese Edition) (2013), 64(7), 2520-2525, database is CAplus.

The interaction between Bacillus megaterium and Ketogulonicigenium vulgare was studied for 2-keto-L-gulonic acid (2-KGA) mixed culture fermentation Bacillus megaterium might adjust its growth behavior by quorum sensing. Metabolites and autolysis substances of Bacillus megaterium were beneficial to overcoming the metabolic defects of Ketogulonicigenium vulgare and therefore accelerating the latter growth. Ketogulonicigenium vulgare released lysozyme to promote Bacillus megaterium autolysis. Bacillus megaterium autolysis released specific protease substances to enhance sorbitol dehydrogenase (SDH) which might increase the synthesis rate of 2-KGA. Based on such mechanisms, a kinetic model of 2-KGA mixed fermentation was established. Model validation was carried out with four sets of exptl. data under different cultivation conditions. The results demonstrated that the proposed model was able to well describe the growth of two bacteria and 2-KGA production

Huagong Xuebao (Chinese Edition) published new progress about 526-98-7. 526-98-7 belongs to alcohols-buliding-blocks, auxiliary class Sugar Units,Other Sugar Units, name is (3S,4R,5S)-3,4,5,6-Tetrahydroxy-2-oxohexanoic acid, and the molecular formula is C6H10O7, Category: alcohols-buliding-blocks.

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

Chang, Jun Jie published the artcileSynthesis of vinyl iodide chain-end polymers via organocatalyzed chain-end transformation, Recommanded Product: 2-Phenylethanethiol, the publication is Chemical Communications (Cambridge, United Kingdom) (2021), 57(9), 1105-1108, database is CAplus and MEDLINE.

In the presence of alkynes (CH=C-R²), iodide chain-end polymers (Polymer-I) were successfully transformed to vinyl iodide chain-end polymers (polymer-CH=CR²-I) in a single step via organocatalysis. This reaction is completely metal-free and easy to carry out without using special reagents or special conditions. The polymers encompassing polyacrylates and polymethacrylate, and addnl. functionalities (e.g., OH and CF₃) were also incorporated into the R² moiety. The obtained Polymer-CH=CR²-I further served as a useful precursor for copper-catalyzed cross-coupling reactions with various thiols (R³-SH) to yield vinyl sulfide chain-end polymers (polymer-CH=CR²-SR³) with various R³ moieties. Interestingly, under selected conditions, this organocatalysis also offered block-like copolymers containing a conjugated oligo-alkyne segment and a non-conjugated polyacrylate segment. Exploiting the unique structure, the block-like copolymer was used as an efficient dispersant of carbon nanotubes.

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 C8H10S, Recommanded Product: 2-Phenylethanethiol.

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

Hu, Peipei published the artcileAssociations between exposure to a mixture of phenols, parabens, and phthalates and sex steroid hormones in children 6-19 years from NHANES, 2013-2016, COA of Formula: C12H10O4S, the publication is Science of the Total Environment (2022), 153548, database is CAplus and MEDLINE.

Humans are typically exposed to mixtures of environmental endocrine-disrupting chems. simultaneously, but most studies have considered only a single chem. or a class of similar chems. We examined the association of exposure to mixtures of 7 chems., including 2 phenols [bisphenol A (BPA) and bisphenol S (BPS)], 2 parabens [methylparaben (MeP) and Pr paraben (PrP)], and 3 phthalate metabolites [Mono-benzyl phthalate (MBzP), mono-iso-Bu phthalate (MiBP), mono (carboxyoctyl) phthalate (MCOP)] with sex steroid hormones. A total of 1179 children aged 6-19 years who had complete data on both 7 chems. and sex steroid hormones of estradiol (E2), total testosterone (TT), and sex hormone-binding globulin (SHBG) were analyzed from the U. S. National Health and Nutrition Examination Survey 2013-2016. Free androgen index (FAI) calculated by TT/SHBG, and the ratio of TT to E2 (TT/E2) were also estimated Puberty was defined if TT ≥ 50 ng/dL in boys, E2 ≥ 20 pg/mL in girls; otherwise prepuberty was defined. Linear regression, weighted quantile sum (WQS) regression, and Bayesian kernel machine regression (BKMR) were performed to estimate the associations of individual chem. or chem. mixtures with sex hormones. The linear regression showed that 2 phenols, 2 parabens, and 3 phthalate metabolites were generally neg. associated with E2, TT, FAI, and TT/E2, while pos. with SHBG. Moreover, these associations were more pronounced among pubertal than prepubertal children. The aforementioned associations were confirmed when further applying WQS and BKMR, and the 3 phthalates metabolites were identified to be the most heavily weighing chems. Exposure to phenols, parabens, and phthalates, either individuals or as a mixture, was neg. associated with E2, TT, FAI and TT/E2, while pos. with SHBG. Those associations were stronger among pubertal children.

Science of the Total Environment 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 C12H10O4S, COA of Formula: C12H10O4S.

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

Ri, Jin Hyok published the artcilePreparation of cement grinding aids based on alumina compounds, Formula: C9H21NO3, the publication is Madencilik (2020), 59(2), 123-129, database is CAplus.

When the cement grinding is performed in the ball mill, the grinding efficiency decreases due to the aggregation of the particles by the electrostatic phenomenon. Therefore, a lot of techniques for preventing agglomeration using various grinding aids have been introduced. In this study, for mineral grinding, the grinding aid composition including a water-soluble aluminate compound and the grinding method in which this grinding aid is used were described. Grinding aids based on aluminate-based compounds not only have high grinding efficiency but are also thermally stable as they are inorganic materials. Compared with the conventional grinding aids based on organic materials such as DEG and TIPA, even if the solid content is half contained, the grinding efficiency is similar and thus the cost can be reduced to half.

Madencilik 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, Formula: C9H21NO3.

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

Reginato, Marcelo Mota published the artcileConformational study of the electronic interactions and nitric oxide release potential of new S-nitrosothiols esters derivatives of ibuprofen, naproxen and phenyl acids substituted (SNO-ESTERS): Synthesis, infrared spectroscopy analysis and theoretical calculations, Synthetic Route of 73303-88-5, the publication is Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (2019), 132-142, database is CAplus and MEDLINE.

The conformational study on the new S-nitrosothiols esters (SNO-ESTERS): para-substituted (X = H, OMe, Cl and NO₂) S-nitrosothiol derivatives 2-methyl-2-(sulfanyl)propyl phenylacetates (R1), 2-(4-isobutylphenyl)propanoate (ibuprofen, R2), and 2-(4-isobutylphenyl)propanoate of 2-methyl-2-(nitrososulfanyl)propyl (naproxen, R3) was performed using IR spectroscopy (IR) in solvents with increasing polarity (CCl₄, CH₃Cl, and CH₃CN), and theor. calculations, to determine the preferential conformer and the potential of these compounds to release nitric oxide (NO). S-Nitrosothiols were synthesized by esterification reactions, using chlorides of the corresponding carboxylic acids, with good yields (~60%). IR results showed that these compounds presented only one conformation, and the exptl. data were supported by the theor. results obtained by d. functional theory (DFT) calculations using the 6311+G (2df, 2p) basis set. The calculations revealed that all S-nitrosothiols presented one preferential anticlinal (ac) geometric conformation, which agrees with the data obtained exptl. in CCl₄. These conformers are stabilized by intramol. hydrogen bonds. Examination of the geometry with regard to the R-SNO group revealed that these compounds are preferentially in the trans (anti) conformation. The calculation of the orbital interactions using the Natural Bond Orbital (NBO) method showed that the n_O(NO) → σ*_(S-N) hyper-conjugative interaction increases the S-N bond length. The strong nS → π*_(NO) interaction and electronic delocalization induces a partial π character to the S-N bond. The weak σ_S-N bond indicates strong delocalization of the electron pair in O (NO) by the n_O(NO) → σ*_(S-N) interaction, thereby increasing the capacity of NO release from SNO-ESTERS.

Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy published new progress about 73303-88-5. 73303-88-5 belongs to alcohols-buliding-blocks, auxiliary class Thiol,Aliphatic hydrocarbon chain,Alcohol, name is 2-Methyl-2-sulfanylpropan-1-ol, and the molecular formula is C4H10OS, Synthetic Route of 73303-88-5.

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