Tag: 100-200

In 2006,Rucklidge, Adam J.; Morris, George E.; Slawin, Alexandra M. Z.; Cole-Hamilton, David J. published 《The methoxycarbonylation of vinyl acetate catalyzed by palladium complexes of [1,2-phenylenebis(methylene)]bis[di(tert-butyl)phosphine]》.Helvetica Chimica Acta published the findings.Name: Methyl 3-hydroxypropanoate The information in the text is summarized as follows:

Palladium complexes of [1,2-phenylenebis(methylene)]bis[di(tert-butyl)phosphine] (1) catalyze the methoxycarbonylation of vinyl acetate (= ethenyl acetate) in the presence of methanesulfonic acid. High selectivities to ester products can be obtained if free phosphine ligand is in excess over the amount of added acid. Selectivities to Me 2-acetoxypropanoate, a precursor to lactate esters, can be as high as 3.6:1 at low temperature and pressure. Replacing tBu by iPr groups leads to less-active catalysts and lower selectivities to the branched product. Replacing the phenylene moiety by a naphthalenediyl moiety also gives lower activity, but with similar selectivity to the phenylene-based analogs. Linear hydrocarbon-chain linkers as the backbone instead of the phenylenebis-(methylene) linker leads to poor catalysis, except for a propane-1,3-diyl linker, which gives good rates but poor branched selectivity. The effect of different reaction conditions on the catalysis is discussed. The syntheses of the new xylene-based diphosphines with one to four iPr groups replacing the tBu groups at the P-atoms of 1, based on 1,2- and 2,3-dimethylnaphthalene are also described. The crystal structure of rac-[1,2-phenylenebis(methylene)]bis[(tert-butyl)isopropylphosphine]-borane is described. In addition to this study using Methyl 3-hydroxypropanoate, there are many other studies that have used Methyl 3-hydroxypropanoate(cas: 6149-41-3Name: Methyl 3-hydroxypropanoate) was used in this study.

Methyl 3-hydroxypropanoate(cas: 6149-41-3) belongs to esters with low molecular weight are commonly used as fragrances and found in essential oils and pheromones. Their flexibility and low polarity is manifested in their physical properties; they tend to be less rigid (lower melting point) and more volatile (lower boiling point) than the corresponding amides. Name: Methyl 3-hydroxypropanoate

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

Hang, Wei; Yi, Yaping; Xi, Chanjuan published an article in Advanced Synthesis & Catalysis. The title of the article was 《Cobalt-Catalyzed Reductive Carboxylation of Aryl Bromides with Carbon Dioxide》.HPLC of Formula: 1877-71-0 The author mentioned the following in the article:

Cobalt-catalyzed reductive carboxylation of aryl bromides with carbon dioxide to form the corresponding carboxylic acids ArC(O)OH [Ar = Ph, 4-MeOC6H4, 1-naphthyl, etc.] in good to high yields was developed. The reaction proceeded under one atm pressure of CO2 at 40°C in the presence of cobalt iodide/2,2′-bipyridine catalysts and zinc dust as a reducing reagent. Preliminary mechanistic experiments ruled out intervention of intermediate organozinc species for carboxylation with CO2, thus suggested direct CO2 insertion into the corresponding ArCoBr species. In addition to this study using 3-(Methoxycarbonyl)benzoic acid, there are many other studies that have used 3-(Methoxycarbonyl)benzoic acid(cas: 1877-71-0HPLC of Formula: 1877-71-0) was used in this study.

3-(Methoxycarbonyl)benzoic acid(cas: 1877-71-0) belongs to esters.HPLC of Formula: 1877-71-0 They are important in biology, being one of the main classes of lipids and comprising the bulk of animal fats and vegetable oils.Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones.

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

COA of Formula: C6H10O3On October 31, 2021 ,《Spirocyclic Amide Acetal Synthesis by [CpRu]-Catalyzed Condensations of α-Diazo-β-Ketoesters with γ-Lactams》 appeared in Helvetica Chimica Acta. The author of the article were Pertschi, Romain; Brun, Elodie; de Aguirre, Adiran; Guenee, Laure; Poblador-Bahamonde, Amalia I.; Lacour, Jerome. The article conveys some information:

The synthesis of spirocyclic amide acetals (33-93%) has been achieved through Ru(II)-catalyzed condensations of N-carbamate protected pyrrolidinones with metal carbenes derived from α-diazo-β-ketoesters. Thanks to the mildness of the diazo decomposition conditions induced by a 1 : 1 combination of [CpRu(MeCN)3][BArF] and 1,10-phenanthroline, the formation of the sensitive products is possible. Full characterization of this carbonyl-ylide mediated process is provided by DFT calculations The experimental process involved the reaction of Methyl 3-oxovalerate(cas: 30414-53-0COA of Formula: C6H10O3)

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.COA of Formula: C6H10O3

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

HPLC of Formula: 1877-71-0On May 23, 2019, Li, Yunqi; He, Yuan; Shao, Ting; Pei, Haixiang; Guo, Weikai; Mi, Dazhao; Krimm, Isabelle; Zhang, Yuanjin; Wang, Peili; Wang, Xin; Liu, Mingyao; Yi, Zhengfang; Chen, Yihua published an article in Journal of Medicinal Chemistry. The article was 《Modification and biological evaluation of a series of 1,5-diaryl-1,2,4-triazole compounds as novel agents against pancreatic cancer metastasis through targeting myoferlin》. The article mentions the following:

Pancreatic cancer is one of the most common cancers with an extremely low survival rate. Metastasis, as one of the key reasons of cancer-related death, is found in more than 50% pancreatic cancer patients at diagnosis. Novel therapeutic targets and drugs blocking cancer metastasis are urgently needed. Herein, we report a series of 1,5-diaryl-1,2,4-triazole derivatives as potent antimetastatic agents. Lead compound 3-(3-ethyl-5-(5-methoxy-2-pyrimidinyl)-1H-1,2,4-triazolyl)-N-(4-phenylbutyl)benzamide (6y) displayed effective antimetastatic activities in pancreatic cancer in vitro and in vivo. Concomitant studies indicated that 6y probably binds with myoferlin (MYOF), a novel potential antitumor metastasis target, which regulates vesicle trafficking and metastasis-related proteins. Subsequent biophys. and biochem. methods verified that 6y bound to MYOF. Mechanism studies revealed that 6y inhibited pancreatic cancer metastasis through reversing the epithelial mesenchymal transition, inhibiting the secretions of matrix metalloproteinase and blocking the receptor tyrosine kinases. Our findings suggest that targeting MYOF with 6y may be a promising therapeutic strategy to prevent pancreatic cancer metastasis. The results came from multiple reactions, including the reaction of 3-(Methoxycarbonyl)benzoic acid(cas: 1877-71-0HPLC of Formula: 1877-71-0)

3-(Methoxycarbonyl)benzoic acid(cas: 1877-71-0) belongs to esters.HPLC of Formula: 1877-71-0 They are important in biology, being one of the main classes of lipids and comprising the bulk of animal fats and vegetable oils.Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones.

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

《Tetra-substituted furans by a gold-catalysed tandem C(sp3)-H alkynylation/oxy-alkynylation reaction》 was published in Organic Chemistry Frontiers in 2021. These research results belong to Han, Chunyu; Tian, Xianhai; Song, Lina; Liu, Yaowen; Hashmi, A. Stephen K.. Category: esters-buliding-blocks The article mentions the following:

A gold-catalyzed cascade C(sp3)-H alkynylation/oxy-alkynylation of acceptor-substituted carbonyl compounds with hypervalent iodine(III) reagents for the synthesis of tetra-substituted furans is described. This reaction involves two Au(I)/Au(III) catalytic cycles and proceeds through a C(sp3)-H alkynylation of a substituted ketone and a subsequent oxy-alkynylation of the generated 2-alkynyl ketone. This mild and simple method can tolerate a wide range of functionalities, offering distinct advantages over previous methods using PIDA as the external oxidant. Furthermore, a gram-scale synthesis is feasible and the synthesized furan product was readily transformed into other related compounds The results came from multiple reactions, including the reaction of Methyl 3-oxovalerate(cas: 30414-53-0Category: esters-buliding-blocks)

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.Category: esters-buliding-blocks

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

《Second-generation 4,5,6,7-tetrahydrobenzo[d]thiazoles as novel DNA gyrase inhibitors》 was published in Future Medicinal Chemistry in 2020. These research results belong to Lamut, Andraz; Skok, Ziga; Barancokova, Michaela; Gutierrez, Lucas J.; Cruz, Cristina D.; Tammela, Paeivi; Draskovits, Gabor; Szili, Petra Eva; Nyerges, Akos; Pal, Csaba; Molek, Peter; Bratkovic, Tomaz; Ilas, Janez; Zidar, Nace; Zega, Anamarija; Enriz, Ricardo D.; Kikelj, Danijel; Tomasic, Tihomir. Formula: C9H8O4 The article mentions the following:

DNA gyrase and topoisomerase IV are essential bacterial enzymes, and in the fight against bacterial resistance, they are important targets for the development of novel antibacterial drugs. Building from our first generation of 4,5,6,7-tetrahydrobenzo[d]thiazole-based DNA gyrase inhibitors, we designed and prepared an optimized series of analogs that show improved inhibition of DNA gyrase and topoisomerase IV from Staphylococcus aureus and Escherichia coli, with IC50 values in the nanomolar range. Importantly, these inhibitors also show improved antibacterial activity against Gram-pos. strains. The most promising inhibitor, 29, is active against Enterococcus faecalis, Enterococcus faecium and S. aureus wild-type and resistant strains, with min. inhibitory concentrations between 4 and 8 g/mL, which represents good starting point for development of novel antibacterials. The experimental part of the paper was very detailed, including the reaction process of 3-(Methoxycarbonyl)benzoic acid(cas: 1877-71-0Formula: C9H8O4)

3-(Methoxycarbonyl)benzoic acid(cas: 1877-71-0) belongs to esters. Esters are more polar than ethers but less polar than alcohols. Formula: C9H8O4 They participate in hydrogen bonds as hydrogen-bond acceptors, but cannot act as hydrogen-bond donors, unlike their parent alcohols.

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

SDS of cas: 403-33-8In 2021 ,《I2-Promoted [3+2] Cyclization of 1,3-Diketones with Potassium Thiocyanate: a Route to Thiazol-2(3H)-One Derivatives》 was published in Advanced Synthesis & Catalysis. The article was written by An, Zhenyu; Liu, Yafeng; Zhao, Pengbo; Yan, Rulong. The article contains the following contents:

An I2-promoted strategy has been developed for the synthesis of thiazol-2(3H)-one derivatives from 1,3-diketones with potassium thiocyanate. This [3+2] cyclization reaction involves C-S and C-N bond formation and exhibits good functional group tolerance. A series of thiazol-2(3H)-one derivatives are obtained in moderate to good yields. In the experiment, the researchers used many compounds, for example, Methyl 4-fluorobenzoate(cas: 403-33-8SDS of cas: 403-33-8)

Methyl 4-fluorobenzoate(cas: 403-33-8) can be used in the synthesis of trisubstituted imidazole derivatives containing a 4-fluorophenyl group, a pyrimidine ring, and a CN- or CONH2-substituted benzyl moiety.SDS of cas: 403-33-8

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

Product Details of 16982-21-1In 2019 ,《Enzymatic and Site-Specific Ligation of Minimal-Size Tetrazines and Triazines to Proteins for Bioconjugation and Live-Cell Imaging》 was published in Bioconjugate Chemistry. The article was written by Baalmann, Mathis; Ziegler, Michael J.; Werther, Philipp; Wilhelm, Jonas; Wombacher, Richard. The article contains the following contents:

Diels-Alder reactions with inverse electron demand (DAinv) have emerged as an indispensable tool for bioorthogonal labeling and the manipulation of biomols. In this context, reactions between tetrazines and strained dienophiles have received attention because of high reaction rates. Current methods for the DAinv-mediated functionalization of proteins suffer from slow reactivity, impaired stability, isomerization, or elimination of the incorporated strained dienophiles. We report here a versatile platform for the posttranslational, highly selective, and quant. modification of proteins with stable dienes. New synthetic access to minimal size tetrazine and triazine derivatives enabled us to synthesize tailored diene substrates for the lipoic acid protein ligase A (LplA) from Escherichia coli, which we employ for the rapid, mild, and quant. bioconjugation of proteins by DAinv. The presented method benefits from the minimal tag size for LplA recognition and can be applied to proteins from any source organism. We demonstrate its broad suitability by site-specific in vitro protein labeling and live cell labeling for fluorescence microscopy. With this work we expand the scope of DAinv bioorthogonal chem. for site-specific protein labeling, providing addnl. exptl. flexibility for preparing well-defined bioconjugates and addressing biol. questions in complex biol. environments. In the part of experimental materials, we found many familiar compounds, such as Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1Product Details of 16982-21-1)

Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1) belongs to anime. Many important products require amines as part of their syntheses. Methylamine is utilized in the production of the analgesic meperidine (trade name Demerol) and the photographic developer Metol (trademark), and dimethylamine is used in the synthesis of the antihistamine diphenhydramine (trade name Benadryl), the solvent dimethylformamide (DMF), and the rocket propellant 1,1-dimethylhydrazine. The synthesis of the insect repellent N,N-diethyl-m-toluamide (DEET) incorporates diethylamine while that of the synthetic fibre Kevlar requires aromatic amines.Product Details of 16982-21-1

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

Safety of tert-Butyl carbamateIn 2022 ,《Efficient access to general α-tertiary amines via water-accelerated organocatalytic multicomponent allylation》 was published in Nature Communications. The article was written by Goswami, Prithwish; Cho, Sung Yeon; Park, Jin Hyun; Kim, Woo Hee; Kim, Hyun Jin; Shin, Myoung Hyeon; Bae, Han Yong. The article contains the following contents:

A tetrasubstituted carbon atom connected by three sp3 or sp2-carbons with single nitrogen, i.e., the α-tertiary amines I [R = n-Pr, CH2CO2Et, Ph, etc.; R1 = Me, Et, n-Pr, etc.], was an essential structure of diverse naturally occurring alkaloids and pharmaceuticals. The synthetic approach toward ATA structures was intricate, therefore, a straightforward catalytic method had remained a substantial challenge. Herein, an efficient water-accelerated organocatalytic allylation to directly access ATA incorporating homoallylic amine structures I by exploiting readily accessible general ketones/keto esters as useful starting material along with allyl boronic acid esters and benzhydrazide/amines. The synergistic action of a hydrophobic Bronsted acid in combination with a squaramide hydrogen-bonding donor under aqueous condition enabled the facile formation of the desired moiety I. The developed exceptionally mild but powerful system facilitated a broad substrate scope and enabled efficient multi-gram scalability. In the part of experimental materials, we found many familiar compounds, such as tert-Butyl carbamate(cas: 4248-19-5Safety of tert-Butyl carbamate)

tert-Butyl carbamate(cas: 4248-19-5) belongs to anime. Amines have a free lone pair with which they can coordinate to metal centers. Amine–metal bonds are weaker because amines are incapable of backbonding, but they are still important for sensing applications.While stronger than hydrogen bonds, amine–metal bonds are still weaker than both covalent and ionic bonds.Safety of tert-Butyl carbamate

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

Formula: C4H8O3In 2021 ,《Cobalt Carbonyls Stabilized by N,P-Ligands: Synthesis, Structure, and Catalytic Property for Ethylene Oxide Hydroalkoxycarbonylation》 was published in Chemistry – An Asian Journal. The article was written by Zhao, Jinbo; Wu, Peng; Lai, Enyi; Li, Jiancheng; Chen, Yilin; Jiang, Wenjun; Wang, Binju; Zhu, Hongping. The article contains the following contents:

Reactions of N,P-Ligands as Ph2P(o-NMe2C6H4) (1L), 2,6-iPr2C6H3NHC(Ph)=NC6H4(o-PPh2) (2L), and Ph2PN(R)PPh2 (R = iPr (3L), cyclo-C6H11 (4L), tBu (5L), CH2C4H7O (6L)) each with dicobalt octacarbonyl produced [1LCo(CO)3]2 (1), [2LCo(CO)(μ-CO)2Co(CO)3] (2), [3LCo(CO)3]+[Co(CO)4]- (3), [3LCo(CO)2]2 (4), [4LCo(CO)2]2 (5), [5LCo(CO)2]+[Co(CO)4]- (6), and [6LCo(CO)2]+[Co(CO)4]- (7). 1-7 Have all been structurally characterized by x-ray crystallog., IR and NMR spectroscopies, and elemental anal. Catalytic tests on transformation of ethylene oxide (EO), CO and MeOH into Me 3-hydroxypropionate (3-HMP) indicate that complexes 1-7 are active, where ion-pair complexes 3 and 6-7 behave more excellently (by achieving 88.4-93.6% 3-HMP yields) than the neutral species 1-2 and 4-5 (35.0-46.5% 3-HMP yields) when the reactions are all operated at 2 MPa CO pressure and 50° in MeOH solvent. D. functional theory (DFT) study by selecting 3 as a model suggests a cooperative catalytic reaction mechanism by [Co(CO)4]- and its countercation [3LCo(CO)3]+. The cobalt-homonuclear ion-pair catalyzed hydroalkoxycarbonylation of EO is present herein. The experimental part of the paper was very detailed, including the reaction process of Methyl 3-hydroxypropanoate(cas: 6149-41-3Formula: C4H8O3)

Methyl 3-hydroxypropanoate(cas: 6149-41-3) belongs to esters with low molecular weight are commonly used as fragrances and found in essential oils and pheromones. Their flexibility and low polarity is manifested in their physical properties; they tend to be less rigid (lower melting point) and more volatile (lower boiling point) than the corresponding amides. Formula: C4H8O3

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