Tag: 100-200

Akintola, Oluwafemi; Ren, Weiwu; Adabala, Pal John Pal; Bhosale, Sandeep; Wang, Yang; Ganga-Sah, Yumeela; Britton, Robert; Bennet, Andrew J. published their research in ACS Catalysis on August 6 ,2021. The article was titled 《Intrinsic Nucleophilicity of Inverting and Retaining Glycoside Hydrolases Revealed Using Carbasugar Glyco-Tools》.Category: chlorides-buliding-blocks The article contains the following contents:

Hydrolyzes of cyclohexenyl-based carbasugars that mimic either α-D-glucose or α-D-galactose were explored with two Bacteroides thetaiotaomicron enzymes from glycoside hydrolase family 97: an inverting α-glucosidase (BtGH97a) and a retaining α-galactosidase (BtGH97b). Specifically, the kinetic data for the inverting α-glucosidase is consistent with the reaction giving a hydrolyzed inverted carbaglucose product by a mechanism that proceeds with little nucleophilic participation by the bound water mol. at the reaction transition state. The enzymic rate constant ratio for the Ph carbasugars contrasts with the corresponding kinetic data obtained using natural substrate Ph glycopyranosides. This modest difference in rate constants underscores our conclusion that retaining glycoside hydrolases may not have optimized the nucleophilicity of their active site nucleophiles with the result that the transition state free energies for formation and hydrolysis of the covalent enzyme intermediate are matched. After reading the article, we found that the author used 3-Chloro-4-fluoronitrobenzene(cas: 350-30-1Category: chlorides-buliding-blocks)

3-Chloro-4-fluoronitrobenzene(cas: 350-30-1) belongs to organochlorine compounds. The wide structural variety and divergent chemical properties of organochlorides lead to a broad range of names, applications, and properties.Category: chlorides-buliding-blocks Organochlorine compounds have wide use in many applications, though some are of profound environmental concern, with TCDD being one of the most notorious.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Formula: C2HClN2SOn November 1, 2011 ,《Antibacterial comparison and GC/MS analysis of three aromatic plants》 appeared in Shipin Gongye Keji. The author of the article were Kong, Jingsi; Chen, Jiwu; Wang, Bangzheng; Yao, Lei. The article conveys some information:

The antibacterial activities of volatile oils and aqueous extracts from residue of Myrtle, Lavender Mint and Rosemary were studied and compared by the method of agar diffusion. Under the treatments of changing the pH, temperature and UV, the antimicrobial stabilities of the oils were also measured. By the side, gas chromatog.-mass spectrometry (GC/MS) was used to analyze the volatile components. The results revealed that the volatile oil had a both significant and stable antibacterial activity. The antimicrobial activity of Lavender Mint was especially higher than the others, while, which of the other two were very close to each other. By GC/MS, terpenoids contained in the three oils were analyzed Myrtle 59.80%, Lavender Mint 79.63%, Rosemary 60.36%, resp. Although the extraction rates of the aqueous extracts were much higher than the oils, the antibacterial activities were lower. And the antimicrobial sensitivities of the three water extracts were as followed: Myrtle > Rosemary > Lavender Mint. In the experiment, the researchers used 5-Chloro-1,2,4-thiadiazole(cas: 38362-15-1Formula: C2HClN2S)

5-Chloro-1,2,4-thiadiazole(cas: 38362-15-1) is a member of organic chlorides. Organic chlorides are compounds containing a carbon-chlorine bond, which are widely used in the oil field as a wax dissolver. They are generally not present in crude oils and are typically the result of additives, cleaning solutions or chemicals used for oil recovery.Formula: C2HClN2S

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Electric Literature of C6H6BFO2In 2020 ,《Catalytic enantioselective desymmetrizing functionalization of alkyl radicals via Cu(I)/CPA cooperative catalysis》 was published in Nature Catalysis. The article was written by Cheng, Yong-Feng; Liu, Ji-Ren; Gu, Qiang-Shuai; Yu, Zhang-Long; Wang, Jian; Li, Zhong-Liang; Bian, Jun-Qian; Wen, Han-Tao; Wang, Xiao-Jing; Hong, Xin; Liu, Xin-Yuan. The article contains the following contents:

A general and efficient catalytic enantioselective desymmetrizing functionalization of alkene-tethered 1,3-diols was developed. It provided various tetrahydrofurans and analogs such as I [R1 = H, 3-furyl, 4-BrC6H4, etc.; R2 = 3-MeOC6H4, 3-furyl, 1-naphthyl, etc.; R3 = CF3, n-C4F9] bearing multiple stereocenters with remarkably high levels of enantio- and diastereocontrol. DFT calculations and mechanistic experiments revealed a reaction mechanism involving an enantiodetermining outer-sphere C-O bond formation step. In the experiment, the researchers used many compounds, for example, (3-Fluorophenyl)boronic acid(cas: 768-35-4Electric Literature of C6H6BFO2)

(3-Fluorophenyl)boronic acid(cas: 768-35-4) can be used to make novel liquid crystalline fluorobiphenylcyclohexenes and difluoroterphenyls by palladium-catalyzed cross-couplings also used in the synthesis of o-phenylphenols as potent leukotriene B4 receptor agonists.Electric Literature of C6H6BFO2

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Related Products of 768-35-4In 2019 ,《Nickel-catalyzed intermolecular oxidative Heck arylation driven by transfer hydrogenation》 appeared in Nature Communications. The author of the article were Lv, Honggui; Kang, Huiying; Zhou, Biying; Xue, Xiaosong; Engle, Keary M.; Zhao, Dongbing. The article conveys some information:

The regioselectivity (γ-selectivity vs. δ-selectivity) and pathway selectivity (hydroarylation vs. oxidative Heck coupling) of a directed Ni-catalyzed alkene arylation can be controlled by judicious tuning of the coordination environment around the nickel catalyst via optimization of an appropriate phosphine ligand and directing group. In this way, the Ni(0)-catalyzed oxidative Heck arylation that relies on transfer hydrogenation of an acceptor olefin RNHC(O)XYCH=CHR1 (R = quinolin-8-yl; X = CH2, CHMe, CHPh, C(Me)2; Y = CH2, CHMe, CHPh, C(Me)2; R1 = H, Me, Ph) is developed with excellent E/Z selectivity and regioselectivity. Mechanistic investigations suggest that the addition of the acceptor is crucial for lowering the energy for carbometalation and for enabling catalytic turnover. The results came from multiple reactions, including the reaction of (3-Fluorophenyl)boronic acid(cas: 768-35-4Related Products of 768-35-4)

(3-Fluorophenyl)boronic acid(cas: 768-35-4) can be used to make novel liquid crystalline fluorobiphenylcyclohexenes and difluoroterphenyls by palladium-catalyzed cross-couplings also used in the synthesis of o-phenylphenols as potent leukotriene B4 receptor agonists.Related Products of 768-35-4

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Synthetic Route of C6H6BFO2In 2021 ,《Access and modulation of substituted 1-methyl-1,6-dihydropyrazolo[3,4-c]pyrazoles》 appeared in RSC Advances. The author of the article were Ostache, Nicu-Cosmin; Hiebel, Marie-Aude; Finaru, Adriana-Luminita; Allouchi, Hassan; Guillaumet, Gerald; Suzenet, Franck. The article conveys some information:

A convenient design of new pyrazolo[3,4-c]pyrazoles I (R = C6H5, 4-OCH3-C6H4, 4-CF3-C6H4; R1 = H, Br, Ph, 3-thiophene, 4-pyridine, styril, etc.) with a high therapeutic impact has been described. The effective chosen strategy consists of hydrazine condensations and C-N Ullmann-type cross-coupling reactions with microwave activation. Moreover, chemoselective bromination of the newly formed bipyrazoles followed by Suzuki-Miyaura cross-coupling reactions allowed the synthesis of a variety of modulated heterobicycles. In the experiment, the researchers used many compounds, for example, (3-Fluorophenyl)boronic acid(cas: 768-35-4Synthetic Route of C6H6BFO2)

(3-Fluorophenyl)boronic acid(cas: 768-35-4) can be used to make novel liquid crystalline fluorobiphenylcyclohexenes and difluoroterphenyls by palladium-catalyzed cross-couplings also used in the synthesis of o-phenylphenols as potent leukotriene B4 receptor agonists.Synthetic Route of C6H6BFO2

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

In 2022,Sedenkova, Kseniya N.; Andriasov, Kristian S.; Eremenko, Marina G.; Grishin, Yuri K.; Alferova, Vera A.; Baranova, Anna A.; Zefirov, Nikolay A.; Zefirova, Olga N.; Zarubaev, Vladimir V.; Gracheva, Yulia A.; Milaeva, Elena R.; Averina, Elena B. published an article in Molecules. The title of the article was 《Bicyclic Isoxazoline Derivatives: Synthesis and Evaluation of Biological Activity》.Synthetic Route of C4H3ClO2S2 The author mentioned the following in the article:

Among the works of the last decade, a literature search revealed spirothiazamenthane, which has served as a lead in the development of derivatives active against resistant viral strains. In this work, the novel mol. scaffold, which resembles spirothiazamenthane, but combines isoxazoline as a heterocycle and cyclooctane ring as a hydrophobic part of the structure is reported. The synthesis of new 3-nitro- and 3-aminoisoxazolines containing spiro-fused or 1,2-annelated cyclooctane fragments was achieved by employing 1,3-dipolar cycloaddition of 3-nitro-4,5-dihydroisoxazol-4-ol 2-oxide or tetranitromethane-derived alkyl nitronates with non-activated alkenes. A series of spiro-sulfonamides was obtained by the reaction of 3-aminoisoxazoline containing a spiro-fused cyclooctane residue with sulfonyl chlorides. Preliminary screening of the compounds for antiviral, antibacterial, antifungal and antiproliferative properties in vitro revealed 1-oxa-2-azaspiro[4.7]dodec-2-en-3-amine and 3a,4,5,6,7,8,9,9a-octahydrocycloocta[d]isoxazol-3-amine with activity against the influenza A/Puerto Rico/8/34 (H1N1) virus in the submicromolar range, and high values of selectivity index. Further study of the mechanism of the antiviral action of these compounds, and the synthesis of their analogs, is likely to identify new agents against resistant viral strains. In the experimental materials used by the author, we found Thiophene-2-sulfonyl chloride(cas: 16629-19-9Synthetic Route of C4H3ClO2S2)

Thiophene-2-sulfonyl chloride(cas: 16629-19-9) is a member of sulfonyl chlorides. Sulfonyl chlorides are reactive sulfonic acid derivatives similar in properties and reactivity to acid chlorides of carboxylates. The sulfonic acid group, however, is a highly hindered molecule, containing a tetrahedral configuration of substituents. Synthetic Route of C4H3ClO2S2

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

In 2022,Chen, Jian-Qiang; Tu, Xiaodong; Qin, Binyan; Huang, Shaoxin; Zhang, Jun; Wu, Jie published an article in Organic Letters. The title of the article was 《Synthesis of Ester-Substituted Indolo[2,1-a]isoquinolines via Photocatalyzed Alkoxycarbonylation/Cyclization Reactions》.SDS of cas: 5781-53-3 The author mentioned the following in the article:

A direct alkoxycarbonylation/cyclization reaction is accomplished under visible light-induced photoredox catalysis. With this approach, a variety of ester-substituted indolo[2,1-a]isoquinolines are prepared in good to excellent yields. It is worth noting that this method not only can afford the synthesis of indolo[2,1-a]isoquinolines but also can provide an alternative route for generating complex target structures bearing carboxylic esters.Methyl 2-chloro-2-oxoacetate(cas: 5781-53-3SDS of cas: 5781-53-3) was used in this study.

Methyl 2-chloro-2-oxoacetate(cas: 5781-53-3) belongs to acyl chlorides. Lacking the ability to form hydrogen bonds, acyl chlorides have lower boiling and melting points than similar carboxylic acids. For example, acetic acid boils at 118 °C, whereas acetyl chloride boils at 51 °C. Like most carbonyl compounds, infrared spectroscopy reveals a band near 1750 cm−1.SDS of cas: 5781-53-3

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

In 2022,Shen, Dadong; Liu, Hanyu; Qian, Feng; Wang, Pu published an article in Bioorganic Chemistry. The title of the article was 《Design, synthesis and evaluation of novel thienopyridazine derivatives as Chk1/2 inhibitors》.Related Products of 768-35-4 The author mentioned the following in the article:

In order to search for novel checkpoint kinase 1/2 (Chk1) inhibitors, a series of new compounds I.HCl [X = H2C, HN; R = 4-MeO, 4-Cl, 3-Cl, etc.; R1 = pyrrolidin-3-ylmethyl, 3-piperidylmethyl, 3-piperidyl, (3S)-3-piperidyl, 4-piperidyl; R2 = H, Me, Et, etc.] and II [X = H2C, HN; R = 4-MeO, 4-Cl, 3-Cl, etc.; R2 = H, Me, Et, etc.; R3 = (1-tert-butoxycarbonylpyrrolidin-3-yl)methyl, (1-tert-butoxycarbonyl-3-piperidyl)methyl, 1-tert-butoxycarbonylazetidin-3-yl, etc.] incorporating thienopyridazine core were designed and synthesized. Bioevaluation showed that compounds I.HCl [X = HN, R = 3-Cl, R1 = 3-piperidylmethyl, R2 = Et; X = HN, R = 2-Cl, R1 = pyrrolidin-3-ylmethyl, R2 = Et; X = H2C, R = 4-Cl, R1 = 3-piperidyl, R2 = Me; X = HN, R = 3-F, R1 = (3S)-3-piperidyl, R2 = H] exhibited relatively good inhibitory activity. Notably, compound I.HCl [X = HN, R = 3-F, R1 = (3S)-3-piperidyl, R2 = H] displayed high selectivity against a panel of kinases and inhibited Chk1/2 signaling pathway stimulated by DNA damage drugs in cellular level. Mol. docking of I.HCl [X = HN, R = 3-F, R1 = (3S)-3-piperidyl, R2 = H] to the ATP-binding site of Chk1 kinase domain indicated the existence of polar interactions between I.HCl [X = HN, R = 3-F, R1 = (3S)-3-piperidyl, R2 = H] and the ATP-ribose-binding residues of Chk1. In mouse HT-29 xenografts, a synergistic effect was observed Co-treatment by CPT-11 and I.HCl [X = HN, R = 3-F, R1 = (3S)-3-piperidyl, R2 = H] significantly diminished the tumor volume, indicating the great potential of I.HCl [X = HN, R = 3-F, R1 = (3S)-3-piperidyl, R2 = H] as a candidate of Chk1/2 inhibitor. In the experiment, the researchers used (3-Fluorophenyl)boronic acid(cas: 768-35-4Related Products of 768-35-4)

(3-Fluorophenyl)boronic acid(cas: 768-35-4) can be used to make novel liquid crystalline fluorobiphenylcyclohexenes and difluoroterphenyls by palladium-catalyzed cross-couplings also used in the synthesis of o-phenylphenols as potent leukotriene B4 receptor agonists.Related Products of 768-35-4

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

In 2022,Bhunia, Subhajit; De, Subhadip; Ma, Dawei published an article in Organic Letters. The title of the article was 《Room Temperature Cu-Catalyzed N-Arylation of Oxazolidinones and Amides with (Hetero)Aryl Iodides》.Reference of Methyl 2-chloro-2-oxoacetate The author mentioned the following in the article:

N,N’-Bis(pyridin-2-ylmethyl)oxalamide (BPMO) was found to be an apposite promoter for the Cu-catalyzed N-arylation of oxazolidinones and primary and secondary amides with (hetero)aryl iodides at room temperature Excellent chemoselectivity reached between aryl iodides and aryl bromides, and a wide range of functional groups tolerated the reaction conditions, which led to the formation of greatly diverse N-arylation products. In the experiment, the researchers used Methyl 2-chloro-2-oxoacetate(cas: 5781-53-3Reference of Methyl 2-chloro-2-oxoacetate)

Methyl 2-chloro-2-oxoacetate(cas: 5781-53-3) 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.Reference of Methyl 2-chloro-2-oxoacetate

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Weiss, Alexander K. H.; Wurzer, Richard; Klapec, Patrycia; Eder, Manuel Philip; Loeffler, Johannes R.; von Grafenstein, Susanne; Monteleone, Stefania; Liedl, Klaus R.; Jansen-Duerr, Pidder; Gstach, Hubert published an article in 2021. The article was titled 《Inhibitors of Fumarylacetoacetate Hydrolase Domain Containing Protein 1 (FAHD1)》, and you may find the article in Molecules.SDS of cas: 5781-53-3 The information in the text is summarized as follows:

FAH domain containing protein 1 (FAHD1) acts as oxaloacetate decarboxylase in mitochondria, contributing to the regulation of the tricarboxylic acid cycle. Guided by a high-resolution X-ray structure of FAHD1 liganded by oxalate, the enzymic mechanism of substrate processing is analyzed in detail. Taking the chem. features of the FAHD1 substrate oxaloacetate into account, the potential inhibitor structures are deduced. The synthesis of drug-like scaffolds afforded first-generation FAHD1-inhibitors with activities in the low micromolar IC50 range. The investigations disclosed structures competing with the substrate for binding to the metal cofactor, as well as scaffolds, which may have a novel binding mode to FAHD1. The experimental process involved the reaction of Methyl 2-chloro-2-oxoacetate(cas: 5781-53-3SDS of cas: 5781-53-3)

Methyl 2-chloro-2-oxoacetate(cas: 5781-53-3) 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.SDS of cas: 5781-53-3

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics