Tag: 100-200

Subnaik, Selesha; Sheridan, Katya; Hobbs, Christopher E. published their research in Macromolecular Chemistry and Physics in 2021. The article was titled 《Ring Opening Metathesis Polymerization of a New Monomer Derived from a Nitroso Diels-Alder Reaction》.Safety of N-tert-Butoxycarbonylhydroxylamine The article contains the following contents:

A nitroso Diels-Alder (NDA) reaction between cyclopentadiene and an in situ generated nitroso compound leads to a new heterocyclic monomer for ring opening metathesis polymerization (ROMP) reactions. This monomer could be polymerized in the presence of Grubbs-third generation initiator with good control over Mn and decent ETH values. The resulting isoxazolidine-containing material could undergo further hydrogenation, deprotection, and modification with Dansyl chloride as well as ring opening to provide an amino-and hydroxyl-decorated “”polyolefin.””. In the experiment, the researchers used N-tert-Butoxycarbonylhydroxylamine(cas: 36016-38-3Safety of N-tert-Butoxycarbonylhydroxylamine)

N-tert-Butoxycarbonylhydroxylamine(cas: 36016-38-3) belongs to anime. Acylation is one of the most important reactions of primary and secondary amines; a hydrogen atom is replaced by an acyl group (a group derived from an acid, such as RCOOH or RSO3H, by removal of ―OH, such as RC(=O)―, RS(O)2―, and so on). Reagents may be acid chlorides (RCOC1, RSO2C1), anhydrides ((RCO)2O), or even esters (RCOOR′); the products are amides of the corresponding acids.Safety of N-tert-Butoxycarbonylhydroxylamine

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Naikwadi, Dhanaji R.; Bankar, Balasaheb D.; Ravi, Krishnan; Biradar, Ankush V. published their research in Research on Chemical Intermediates in 2021. The article was titled 《Efficient and recyclable solid acid-catalyzed alkylation of active methylene compound via oxonium intermediate for atom economical synthesis of organic compounds》.Product Details of 609-14-3 The article contains the following contents:

The catalytic reaction of active methylene compounds with cyclic enol ethers and aryl acetals through oxonium intermediate under solvent-free conditions using heterogeneous solid acid catalysts were reported. Among studied solid acid catalysts, Amberlyst-15 gave excellent yields (35-85%) of alkylated products. The catalyst showed broader substrate scope, and a recyclable catalytic cost-efficient approach of the alkylation was examined on the different types of cyclic enol ethers and aryl acetal. In the experiment, the researchers used many compounds, for example, Ethyl 2-methyl-3-oxobutanoate(cas: 609-14-3Product Details of 609-14-3)

Ethyl 2-methyl-3-oxobutanoate(cas: 609-14-3) belongs to ketone compounds. Ketones are highly reactive, although less so than aldehydes, to which they are closely related. Much of their chemical activity results from the nature of the carbonyl group. Ketones readily undergo a wide variety of chemical reactions.Product Details of 609-14-3

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Keum, Hyeyun; Jung, Hoimin; Jeong, Jiwoo; Kim, Dongwook; Chang, Sukbok published their research in Angewandte Chemie, International Edition in 2021. The article was titled 《Visible-Light Induced C(sp2)-H Amidation with an Aryl-Alkyl σ-Bond Relocation via Redox-Neutral Radical-Polar Crossover》.Category: esters-buliding-blocks The article contains the following contents:

An approach for the intramol. C(sp2)-H amidation of N-acyloxyamides under photoredox conditions to produce δ-benzolactams with an aryl-alkyl σ-bond relocation was reported. Computational studies on the designed reductive single electron transfer strategy led to identify N-[3,5-bis(trifluoromethyl)benzoyl] group as the most effective amidyl radical precursor. Upon the formation of an azaspirocyclic radical intermediate by the selective ipso-addition with outcompeting an ortho-attack, radical-polar crossover was then rationalized to lead to the rearomative ring-expansion with preferential C-C bond migration. In the part of experimental materials, we found many familiar compounds, such as N-tert-Butoxycarbonylhydroxylamine(cas: 36016-38-3Category: esters-buliding-blocks)

N-tert-Butoxycarbonylhydroxylamine(cas: 36016-38-3) belongs to anime. Hydrogen peroxide (H2O2) and peroxy acids generally add an oxygen atom to the nitrogen of amines. With primary amines, this step is normally followed by further oxidation, leading to nitroso compounds, RNO, or nitro compounds, RNO2. Secondary amines are converted to hydroxylamines, R2NOH, and tertiary amines to amine oxides, R3NO.Category: esters-buliding-blocks

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Kushwaha, Narva Deshwar; Zamisa, Sizwe J.; Kushwaha, Babita; Sharma, Anamika; Kayamba, Francis; Merugu, Srinivas Reddy; Ganai, Ab Majeed; Obakachi, Vincent A.; Albericio, Fernando; Karpoormath, Rajshekhar published their research in Journal of Molecular Structure in 2021. The article was titled 《Synthesis, crystal structure, spectroscopic and photophysical studies of novel fluorinated quinazoline derivatives》.Quality Control of Ethyl oxalyl monochloride The article contains the following contents:

A novel small library of seven fluorinated quinazoline derivatives was synthesized and for four of them, the crystal structures were solved by single X-ray diffractometer and compared the confirmation of mols. in solution-phase using 2D NOESY experiments Taking advantage of the series prepared, the influence of various substituents on the core scaffold (fluorinated quinazoline) on its mol. conformations’ intermol. interactions and on the photoluminescent properties was described. The Hirshfeld surfaces were used to investigate the structure-directing effects of functional groups in controlling their solid-state behavior. Theor. DFT calculations were carried out for getting addnl. knowledge on crystal-state interactions as compared to a gas phase. The photo-phys. (UV and fluorescence) properties of all compounds have been studied. among the series, five compounds exhibited excellent photoluminescent properties. In the experiment, the researchers used Ethyl oxalyl monochloride(cas: 4755-77-5Quality Control of Ethyl oxalyl monochloride)

Ethyl oxalyl monochloride(cas: 4755-77-5) belongs to acyl chlorides. In the laboratory, acyl chlorides are generally prepared by treating carboxylic acids with thionyl chloride (SOCl2). The reaction is catalyzed by dimethylformamide and other additives.Quality Control of Ethyl oxalyl monochloride

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

《Discovery of Novel Inhibitors of LpxC Displaying Potent in Vitro Activity against Gram-Negative Bacteria》 was written by Surivet, Jean-Philippe; Panchaud, Philippe; Specklin, Jean-Luc; Diethelm, Stefan; Blumstein, Anne-Catherine; Gauvin, Jean-Christophe; Jacob, Loic; Masse, Florence; Mathieu, Gaelle; Mirre, Azely; Schmitt, Christine; Lange, Roland; Tidten-Luksch, Naomi; Gnerre, Carmela; Seeland, Swen; Herrmann, Charlyse; Seiler, Peter; Enderlin-Paput, Michel; Mac Sweeney, Aengus; Wicki, Micha; Hubschwerlen, Christian; Ritz, Daniel; Rueedi, Georg. COA of Formula: C4H7NO2S And the article was included in Journal of Medicinal Chemistry in 2020. The article conveys some information:

UDP-3-O-((R)-3-hydroxymyristoyl)-N-glucosamine deacetylase (LpxC) is as an attractive target for the discovery and development of novel antibacterial drugs to address the critical medical need created by multidrug resistant Gram-neg. bacteria. By using a scaffold hopping approach on a known family of methylsulfone hydroxamate LpxC inhibitors, several hit series eliciting potent antibacterial activities against Enterobacteriaceae and Pseudomonas aeruginosa were identified. Subsequent hit-to-lead optimization, using cocrystal structures of inhibitors bound to Pseudomonas aeruginosa LpxC as guides, resulted in the discovery of multiple chem. series based on (i) isoindolin-1-ones, (ii) 4,5-dihydro-6H-thieno[2,3-c]pyrrol-6-ones, and (iii) 1,2-dihydro-3H-pyrrolo[1,2-c]imidazole-3-ones. Synthetic methods, antibacterial activities and relative binding affinities, as well as physicochem. properties that allowed compound prioritization are presented. Finally, in vivo properties of lead mols. which belong to the most promising pyrrolo-imidazolone series, such as I, are discussed. In the experiment, the researchers used many compounds, for example, Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1COA of Formula: C4H7NO2S)

Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1) belongs to anime. Hydrogen peroxide (H2O2) and peroxy acids generally add an oxygen atom to the nitrogen of amines. With primary amines, this step is normally followed by further oxidation, leading to nitroso compounds, RNO, or nitro compounds, RNO2. Secondary amines are converted to hydroxylamines, R2NOH, and tertiary amines to amine oxides, R3NO.COA of Formula: C4H7NO2S

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

《A Specific Blend of Drakolide and Hydroxymethylpyrazines: An Unusual Pollinator Sexual Attractant Used by the Endangered Orchid Drakaea micrantha》 was published in Angewandte Chemie, International Edition in 2020. These research results belong to Bohman, Bjoern; Tan, Monica M. Y.; Phillips, Ryan D.; Scaffidi, Adrian; Sobolev, Alexandre N.; Moggach, Stephen A.; Flematti, Gavin R.; Peakall, Rod. Safety of Ethyl 2-methyl-3-oxobutanoate The article mentions the following:

Bioactive natural products underpin the intriguing pollination strategy used by sexually deceptive orchids. These compounds, which mimic the sex pheromones of the female insect, are emitted in particular blends to lure male insect pollinators of specific species. By combining methods from field biol., anal. chem., electrophysiol., crystallog., and organic synthesis, we report that an undescribed β-hydroxylactone, in combination with two specific hydroxymethylpyrazines, act as pollinator attractants in the rare hammer orchid Drakaea micrantha. This discovery represents an unusual case of chem. unrelated compounds being used together as a sexual attractant. Furthermore, this is the first example of the identification of pollinator attractants in an endangered orchid, enabling the use of chem. in orchid conservation. Our synthetic blend is now available to be used in pollinator surveys to locate suitable sites for plant conservation translocations. In the experiment, the researchers used Ethyl 2-methyl-3-oxobutanoate(cas: 609-14-3Safety of Ethyl 2-methyl-3-oxobutanoate)

Ethyl 2-methyl-3-oxobutanoate(cas: 609-14-3) belongs to ketone compounds. Ketones are highly reactive, although less so than aldehydes, to which they are closely related. Much of their chemical activity results from the nature of the carbonyl group. Ketones readily undergo a wide variety of chemical reactions.Safety of Ethyl 2-methyl-3-oxobutanoate

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

《Identification and Reactivity of s-cis,s-cis-Dihydroxycarbene, a New [CH2O2] Intermediate》 was published in Journal of the American Chemical Society in 2020. These research results belong to Quanz, Henrik; Bernhardt, Bastian; Erb, Frederik R.; Bartlett, Marcus A.; Allen, Wesley D.; Schreiner, Peter R.. COA of Formula: C4H5ClO3 The article mentions the following:

We report the first preparation of the s-cis,s-cis conformer of dihydroxycarbene (1cc) by means of pyrolysis of oxalic acid, isolation of the lower-energy s-trans,s-trans (1tt) and s-cis,s-trans (1ct) product conformers at cryogenic temperatures in a N2 matrix, and subsequent narrow-band near-IR (NIR) laser excitation to give 1cc. Carbene 1cc converts quickly to 1ct via quantum-mech. tunneling with an effective half-life of 22 min at 3 K. The potential energy surface features around 1 were pinpointed by convergent focal point anal. targeting the AE-CCSDT(Q)/CBS level of electronic structure theory. Computations of the tunneling kinetics confirm the time scale of the 1cc → 1ct rotamerization and suggest that direct 1cc → H2 + CO2 decomposition may also be a minor pathway. The intriguing latter possibility cannot be confirmed spectroscopically, but hints of it may be present in the measured kinetic profiles. The experimental part of the paper was very detailed, including the reaction process of Ethyl oxalyl monochloride(cas: 4755-77-5COA of Formula: C4H5ClO3)

Ethyl oxalyl monochloride(cas: 4755-77-5) belongs to acyl chlorides. In the laboratory, acyl chlorides are generally prepared by treating carboxylic acids with thionyl chloride (SOCl2). The reaction is catalyzed by dimethylformamide and other additives.COA of Formula: C4H5ClO3

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Application of 30414-53-0On May 12, 2021 ,《Rapid broad spectrum detection of carbapenemases with a dual fluorogenic-colorimetric probe》 appeared in Journal of the American Chemical Society. The author of the article were Ma, Chi-Wang; Ng, Kenneth King-Hei; Yam, Bill Hin-Cheung; Ho, Pak-Leung; Kao, Richard Yi-Tsun; Yang, Dan. The article conveys some information:

Carbapenems stand as one of the last-resort antibiotics; however, their efficacy is threatened by the rising number and rapid spread of carbapenemases. Effective antimicrobial stewardship thus calls for rapid tests for these enzymes to aid appropriate prescription and infection control. Herein, we report the first effective pan-carbapenemase reporter CARBA-H with a broad scope covering all three Ambler classes. Using a chem. biol. approach, we demonstrated that the absence of the 1β-substituent in the carbapenem core is key to pan-carbapenemase recognition, which led to our rational design and probe development. CARBA-H provides a dual colorimetric-fluorogenic response upon carbapenemase-mediated hydrolysis. A clear visual readout can be obtained within 15 min when tested against a panel of carbapenemase-producing Enterobacteriaceae (CPE) clin. isolates that notably includes OXA-48 and OXA-181-producing strains. Furthermore, CARBA-H can be applied to the detection of carbapemenase activity in CPE-spiked urine samples. The results came from multiple reactions, including the reaction of Methyl 3-oxovalerate(cas: 30414-53-0Application of 30414-53-0)

Methyl 3-oxovalerate(cas: 30414-53-0) belongs to ketone compounds. Ketone compounds have important physiological properties. They are found in several sugars and in compounds for medicinal use, including natural and synthetic steroid hormones. Molecules of the anti-inflammatory agent cortisone contain three ketone groups.Application of 30414-53-0

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Quality Control of Methyl 3-oxovalerateOn October 18, 2021 ,《Ru-NHC-Catalyzed Asymmetric Hydrogenation of 2-Quinolones to Chiral 3,4-Dihydro-2-Quinolones》 was published in Angewandte Chemie, International Edition. The article was written by Hu, Tianjiao; Lueckemeier, Lukas; Daniliuc, Constantin; Glorius, Frank. The article contains the following contents:

The Ru(II)-NHC-catalyzed asym. hydrogenation of 2-quinolones under mild reaction conditions was developed. Alkyl-, aryl- and halogen-substituted optically active dihydro-2-quinolones I [R = H, Me; R1 = Me, Bn; R2 = H, Me, Et, i-Pr, Ph; R3 = H; R4 = H, Me, Ph, etc.; R5 = H, OMe, F, etc.; R6 = H, Me; R1R3 = (CH2)3] were obtained in high yields with moderate to excellent enantioselectivities. The reaction provided an efficient and atom-economic pathway to construct simple chiral 3,4-dihydro-2-quinolones. The desired products could be further reduced to tetrahydroquinolines and octahydroquinolones. The experimental process involved the reaction of Methyl 3-oxovalerate(cas: 30414-53-0Quality Control of Methyl 3-oxovalerate)

Methyl 3-oxovalerate(cas: 30414-53-0) belongs to ketone compounds. Ketone compounds have important physiological properties. They are found in several sugars and in compounds for medicinal use, including natural and synthetic steroid hormones. Molecules of the anti-inflammatory agent cortisone contain three ketone groups.Quality Control of Methyl 3-oxovalerate

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Name: 3-(Methoxycarbonyl)benzoic acidOn March 28, 2022, Ward, Lucy C.; McCue, Hannah V.; Rigden, Daniel J.; Kershaw, Neil M.; Ashbrook, Chloe; Hatton, Harry; Goulding, Ellie; Johnson, James R.; Carnell, Andrew J. published an article in Angewandte Chemie, International Edition. The article was 《Carboxyl Methyltransferase Catalysed Formation of Mono- and Dimethyl Esters under Aqueous Conditions: Application in Cascade Biocatalysis》. The article mentions the following:

Carboxyl methyltransferase (CMT) enzymes catalyze the biomethylation of carboxylic acids under aqueous conditions and have potential for use in synthetic enzyme cascades. Herein we report that the enzyme FtpM from Aspergillus fumigatus can methylate a broad range of aromatic mono- and dicarboxylic acids in good to excellent conversions. The enzyme shows high regioselectivity on its natural substrate fumaryl-L-tyrosine, trans, trans-muconic acid and a number of the dicarboxylic acids tested. Dicarboxylic acids are generally better substrates than monocarboxylic acids, although some substituents are able to compensate for the absence of a second acid group. For dicarboxylic acids, the second methylation shows strong pH dependency with an optimum at pH 5.5-6. Potential for application in industrial biotechnol. was demonstrated in a cascade for the production of a bioplastics precursor (FDME) from bioderived 5-hydroxymethylfurfural (HMF). In the experiment, the researchers used 3-(Methoxycarbonyl)benzoic acid(cas: 1877-71-0Name: 3-(Methoxycarbonyl)benzoic acid)

3-(Methoxycarbonyl)benzoic acid(cas: 1877-71-0) belongs to esters. They are important in biology, being one of the main classes of lipids and comprising the bulk of animal fats and vegetable oils.Name: 3-(Methoxycarbonyl)benzoic acid They perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Polyesters are important plastics, with monomers linked by ester moieties.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics