Tag: 100-200

《Ni-catalyzed Reductive Deaminative Arylation at sp3 Carbon Centers》 was written by Martin-Montero, Raul; Yatham, Veera Reddy; Yin, Hongfei; Davies, Jacob; Martin, Ruben. Formula: C8H19NO2 And the article was included in Organic Letters on April 19 ,2019. The article conveys some information:

A Ni-catalyzed reductive deaminative arylation at unactivated sp3 carbon centers is described. This operationally simple and user-friendly protocol exhibits excellent chemoselectivity profile and broad substrate scope, thus complementing existing metal-catalyzed cross-coupling reactions to forge sp3 C-C linkages. These virtues have been assessed in the context of late-stage functionalization, hence providing a strategic advantage to reliably generate structure diversity with amine-containing drugs. The results came from multiple reactions, including the reaction of 4,4-Diethoxybutan-1-amine(cas: 6346-09-4Formula: C8H19NO2)

4,4-Diethoxybutan-1-amine(cas: 6346-09-4) belongs to anime. Milder oxidation, using reagents such as NaOCl, can remove four hydrogen atoms from primary amines of the type RCH2NH2 to form nitriles (R―C≡N), and oxidation with reagents such as MnO2 can remove two hydrogen atoms from secondary amines (R2CH―NHR′) to form imines (R2C=NR′). Tertiary amines can be oxidized to enamines (R2C=CHNR2) by a variety of reagents.Formula: C8H19NO2

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Application of 873-75-6In 2019 ,《Iridium-Catalyzed Alkylation of Amine and Nitrobenzene with Alcohol to Tertiary Amine under Base- and Solvent-Free Conditions》 was published in Journal of Organic Chemistry. The article was written by Li, Chao; Wan, Ke-feng; Guo, Fu-ya; Wu, Qian-hui; Yuan, Mao-lin; Li, Rui-xiang; Fu, Hai-yan; Zheng, Xue-li; Chen, Hua. The article contains the following contents:

Herein, an efficient and green method for the selective synthesis of tertiary amines has been developed that involves iridium-catalyzed alkylation of various primary amines with aromatic or aliphatic alcs. Notably, the catalytic protocol enables this transformation in the absence of addnl. base and solvent. Furthermore, the alkylation of nitrobenzene with primary alc. to tertiary amine has also been achieved by the same catalytic system. Deuterium-labeling experiments and a series of control experiments were conducted, and the results suggested that an intermol. borrowing hydrogen pathway might exist in the alkylation process. The results came from multiple reactions, including the reaction of (4-Bromophenyl)methanol(cas: 873-75-6Application of 873-75-6)

(4-Bromophenyl)methanol(cas: 873-75-6) undergoes three-component reaction with acetylferrocene and arylboronic acid to give ferrocenyl ketones containing biaryls.Application of 873-75-6 It undergoes oxidation reaction in the presence of polyvinylpolypyrrolidone-supported hydrogen peroxide, silica sulfuric acid and ammonium bromide to yield 4-bromobenzaldehyde.

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Electric Literature of C7H6O3In 2020 ,《Synthesis of symmetrical bis-Schiff base-disulfide hybrids as highly effective anti-leishmanial agents》 was published in Bioorganic Chemistry. The article was written by Taha, Muhammad; Sain, Amyra Amat; Ali, Muhammad; Anouar, El Hassane; Rahim, Fazal; Ismail, Nor Hadiani; Adenan, Mohd Ilham; Imran, Syahrul; Al-Harrasi, Ahmed; Nawaz, Fasial; Iqbal, Naveed; Khan, Khalid Mohammed. The article contains the following contents:

Leishmaniasis has affected a wider part of population around the globe. Most often, the existing regiments to battle against leishmaniasis are inadequate and limited. In our ongoing efforts to develop new leishmanicidal agents, we have synthesized a series of novel and sym. bis-Schiff base-disulfide hybrids 1-27. Intermediate disulfide was synthesized from corresponding 2-aminothiol followed by reacting the coupled adduct with various aromatic aldehydes. All these compounds showed outstanding inhibition when compared with standard (Table 1). Out of twenty seven analogs, twenty two analogs i.e. 1-5, 7-13, 17-21, 23-27 analogs showed excellent inhibitory potential with EC50 values ranging from 0.010 ± 0.00 to 0.096 ± 0.01μM while five compounds i.e. 6, 14-16, and 22 showed good inhibitory potential with EC50 values ranging from 0.10 ± 0.00 to 0.137 ± 0.01μM when compared with the standard Amphotericin B. Structure-activity relationship has been established while mol. docking studies were performed to pin the binding interaction of active mols. This study will help to develop new antileishmanial lead compounds In addition to this study using 3,5-Dihydroxybenzaldehyde, there are many other studies that have used 3,5-Dihydroxybenzaldehyde(cas: 26153-38-8Electric Literature of C7H6O3) was used in this study.

3,5-Dihydroxybenzaldehyde(cas: 26153-38-8) is a building block. It has been used in the synthesis of 2,4-dimethylbenzoylhydrazones with antileishmanial and antioxidant activities.Electric Literature of C7H6O3

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Recommanded Product: 4048-33-3In 2019 ,《Synthesis of neuraminidase-resistant sialoside-modified three-way junction DNA and its binding ability to various influenza viruses》 was published in Carbohydrate Research. The article was written by Yamabe, Miyuki; Fujita, Akira; Kaihatsu, Kunihiro; Ebara, Yasuhito. The article contains the following contents:

Natural sialic acid-modified compounds are capable of targeting influenza virus hemagglutinin (HA). However, these compounds have limited inhibitory effect because natural O-glycoside bond in these compounds are prone to be cleaved by neuraminidase (NA) on the surface of viruses. In this study, we synthesized NA-resistant sialoside that included unnatural S-glycoside bonds and modified this sialoside on a three-way junction (3WJ) DNA to display complementary distribution to its binding sites on a HA trimer. This S-glycoside-containing sialoside-modified 3WJ DNA showed certain NA resistance and maintained high binding affinity. Importantly, our observations showed that substituting natural O-glycoside with unnatural S-glycoside did not affect the binding affinity of the sialoside-modified 3WJ DNA for viruses. Thus, this study is an important step forward in the development of NA-resistant sialoside derivatives for more effective detection and inhibition of infection by a broad spectrum of viruses. In the part of experimental materials, we found many familiar compounds, such as 6-Aminohexan-1-ol(cas: 4048-33-3Recommanded Product: 4048-33-3)

6-Aminohexan-1-ol(cas: 4048-33-3) can undergo cyclization over copper supported on γ-alumina and magnesia to form hexahydro-1H-azepine. It may be used along with glutaric acid to generate poly(ester amide)s with excellent film- and fiber forming properties.Recommanded Product: 4048-33-3

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《Mass spectrometry distinguishing C=C location and cis/trans isomers: A strategy initiated by water radical cations》 was written by Zhang, Xiaoping; Ren, Xiang; Chingin, Konstantin; Xu, Jiaquan; Yan, Xin; Chen, Huanwen. Computed Properties of C6H12O And the article was included in Analytica Chimica Acta in 2020. The article conveys some information:

We present an approach for the elucidation of C=C bond position and cis/trans isomers, which is achieved by the reaction of ambient water radical cations and double bonds, followed by the fragmentation of epoxide radical cations to generate diagnostic ions in tandem mass spectrometry. Hexenol double bond positional isomers and cis/trans isomers which exhibit different properties and biol. functions are characterized as a proof of concept. The merits of the approach include the simplicity of exptl. setup, rapid derivatization (within seconds), the obviation of organic solvents, as well as easy spectral interpretation. In the experimental materials used by the author, we found 5-Hexen-1-ol(cas: 821-41-0Computed Properties of C6H12O)

5-Hexen-1-ol(cas: 821-41-0) is used in cyclization to a tetrahydropyran by phenylselenoetherification. It is also used as a building block in synthetic chemistry.Computed Properties of C6H12O

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《Exploring solvent dependent catecholase activity in transition metal complexes: an experimental and theoretical approach》 was written by I., Mantasha; Shahid, M.; Kumar, Manjeet; Ansari, Azaj; Akhtar, Muhammad Nadeem; AlDamen, Murad A.; Song, You; Ahmad, Musheer; Khan, Ishaat M.. Application of 1195-59-1 And the article was included in New Journal of Chemistry in 2020. The article conveys some information:

In contrast to polynuclear complex models for biomimetic activity, a series of mononuclear complexes are designed in this work in order to assess their catecholase activity and kinetics. Four new complexes, namely, [Mn(pdmH2)(Phen)Cl]Cl·H2O (1), [Mn(pmmH)2(SCN)2] (2), [Ni(pmmH)2(SCN)2] (3) and [Zn(phen)3][(pdm)]·11H2O (4) utilizing an amino alc. ligand, pyridine-2,6-dimethanol (pdmH2) or 2-pyridinemonomethanol (pmmH), and an auxiliary ligand, 1,10-phenanthroline (phen) or thiocyanate (SCN-), are synthesized. The complexes are characterized by elemental anal., FTIR, UV-visible, EPR, fluorescence (solution and solid state), Hirshfeld surface anal., magnetic, single crystal X-ray and DFT/TD-DFT studies. X-ray structures confirm the geometry around the M(II) ions to be octahedral in all the complexes. In 1-3, the primary aminoalc. ligand binds to a metal ion in a neutral (pdmH2 or pmmH) mode while 4 exists as a cation-anion type complex where a deprotonated ligand (pdm2-) is present in the outer sphere having no coordination to the metal. The Zn(II) complex also shows remarkable luminescence in the solid state photoluminescence spectrum. Variable temperature magnetic studies show the presence of antiferromagnetic exchange in 1-3 (θ = -2.8, -1.7 and -5.2, resp.) with the observation of anisotropy (D = 4.0 and E = 3.4) in 3. DFT/TD-DFT results provide ample information regarding the structures, spin densities, charge distribution, and electronic spectra along with the transitions. The spin d. values, ρ = 4.793, 4.792 and 1.676, confirm the presence of five, five and two unpaired electrons on the metal d-orbitals of 1, 2 and 3, resp. Interestingly, solvent dependent catecholase activity has been observed for the first time in mononuclear Mn(II) complexes (1 and 2) with Kcat = 2602.8 h-1 (acetonitrile), 1490.4 h-1 (methanol) for 1, and 1083.6 h-1 (acetonitrile), 806.4 h-1 (methanol) for 2. This can be rationalized in terms of the coordinating powers of the solvent, i.e., DMSO > MeOH > MeCN. Further, the order of activity in 1 and 2 (i.e., 1 > 2) and inactivity of 3 and 4 are very well corroborated by DFT which ascertains the highest charge contribution on the metal in 1 [33% on HOMO and 2% on LUMO of Mn(II)] resulting in the formation of the most stable metal-substrate adduct, thus enhancing the activity. The results came from multiple reactions, including the reaction of 2,6-Pyridinedimethanol(cas: 1195-59-1Application of 1195-59-1)

2,6-Pyridinedimethanol(cas: 1195-59-1) belongs to pyridine. Pyridine is a relatively complex molecule and exhibits a number of different bands in IR spectra. Among others, the bands characterizing the ν8a and ν19b modes have been found to be sensitive to the coordination or protonation of the molecule. Note that the band that is diagnostic for the PyH+ ion at about 1545 cm− 1 (ν19b mode) does not overlap with any of the other bands.Application of 1195-59-1

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《Glucose- and pH-Responsive Supramolecular Polymer Vesicles Based on Host-Guest Interaction for Transcutaneous Delivery of Insulin》 was written by Lin, Yonghui; Hu, Wei; Bai, Xiaowen; Ju, Yanshan; Cao, Cong; Zou, Shufen; Tong, Zaizai; Cen, Chao; Jiang, Guohua; Kong, Xiangdong. Related Products of 627-18-9 And the article was included in ACS Applied Bio Materials in 2020. The article conveys some information:

Smart insulin delivery platforms having the ability of mimicking pancreatic cells are highly expected for diabetes treatment. Herein, a smart glucose-sensitive insulin delivery platform on the basis of transcutaneous microneedles has been designed. The as-prepared microneedles are composed of glucose- and pH-responsive supramol. polymer vesicles (PVs) as the drug storage and water soluble polymers as the matrix. The well-defined PVs are constructed from the host-guest inclusion complex between water-soluble pillar[5]arene (WP5) with pH-responsiveness and paraquat-ended poly(phenylboronic acid) (PPBA-G) with glucose-sensitivity. The drug-loaded PVs, including insulin and glucose oxidase (GOx) can quickly respond to elevated glucose level, accompanied by the disassocn. of PVs and fast release of encapsulated insulin. Moreover, the insulin release rate is further accelerated by GOx, which generates gluconic acid at high glucose levels, thus decreasing the local pH. Therefore, the host-guest interaction between WP5 and PPBA-G is destroyed and a total structure disassocn. of PVs takes place, contributing to a fast release of encapsulated insulin. The in vivo insulin delivery to diabetic rats displays a quick response to hyperglycemic levels and then can fast regulate the blood glucose concentrations to normal levels, which demonstrates that the obtained smart insulin device has a highly potential application in the treatment of diabetes. The experimental process involved the reaction of 3-Bromopropan-1-ol(cas: 627-18-9Related Products of 627-18-9)

3-Bromopropan-1-ol(cas: 627-18-9) was used in the synthesis of fluorescent halide-sensitive quinolinium dyes and molten salt-polymers. Furthermore, it was used in the synthesis of chiral, quaternary prolines via cyclization of quaternary amino acids.Related Products of 627-18-9

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《Selective Delivery of Dicarboxylates to Mitochondria by Conjugation to a Lipophilic Cation via a Cleavable Linker》 was published in Molecular Pharmaceutics in 2020. These research results belong to Prag, Hiran A.; Kula-Alwar, Duvaraka; Pala, Laura; Caldwell, Stuart T.; Beach, Timothy E.; James, Andrew M.; Saeb-Parsy, Kourosh; Krieg, Thomas; Hartley, Richard C.; Murphy, Michael P.. Computed Properties of C3H7BrO The article mentions the following:

Many mitochondrial metabolites and bioactive mols. contain two carboxylic acid moieties that make them unable to cross biol. membranes. Hence, there is considerable interest in facilitating the uptake of these mols. into cells and mitochondria to modify or report on their function. Conjugation to the triphenylphosphonium (TPP) lipophilic cation is widely used to deliver mols. selectively to mitochondria in response to the membrane potential. However, permanent attachment to the cation can disrupt the biol. function of small dicarboxylates. Here, we have developed a strategy using TPP to release dicarboxylates selectively within mitochondria. For this, the dicarboxylate is attached to a TPP compound via a single ester bond, which is then cleaved by intramitochondrial esterase activity, releasing the dicarboxylate within the organelle. Leaving the second carboxylic acid free also means mitochondrial uptake is dependent on the pH gradient across the inner membrane. To assess this strategy, we synthesized a range of TPP monoesters of the model dicarboxylate, malonate. We then tested their mitochondrial accumulation and ability to deliver malonate to isolated mitochondria and to cells, in vitro and in vivo. A TPP-malonate monoester compound, TPP11-malonate, in which the dicarboxylate group was attached to the TPP compound via a hydrophobic undecyl link, was most effective at releasing malonate within mitochondria in cells and in vivo. Therefore, we have developed a TPP-monoester platform that enables the selective release of bioactive dicarboxylates within mitochondria. In addition to this study using 3-Bromopropan-1-ol, there are many other studies that have used 3-Bromopropan-1-ol(cas: 627-18-9Computed Properties of C3H7BrO) was used in this study.

3-Bromopropan-1-ol(cas: 627-18-9) was used in the synthesis of fluorescent halide-sensitive quinolinium dyes and molten salt-polymers. Furthermore, it was used in the synthesis of chiral, quaternary prolines via cyclization of quaternary amino acids.Computed Properties of C3H7BrO

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《Amino-Acid-Mediated Aerobic Oxidation of Organoborons for the Synthesis of Phenolic Derivatives Using Single Electron Transfer》 was published in ChemistrySelect in 2020. These research results belong to Gujjarappa, Raghuram; Vodnala, Nagaraju; Garg, Aakriti; Hazra, Chinmoy K.; Gupta, Sreya; Malakar, Chandi C.. Computed Properties of C6H7BO3 The article mentions the following:

An efficient amino-acid-mediated ipso-hydroxylation of arylboronic acids, aryl boronate esters and aryl trifluoroborates RX (R = 4-chlorophenyl, naphthalen-1-yl, quinolin-5-yl, etc.; X = BF3K, B(OH)2, Bpin) to aryl alcs. ROH has been described. The current protocol was realized by using sub-stoichiometric amount of L-histidine in presence of triethylamine under aerobic conditions in DMF as solvent. This amino-acid-mediated process provides an alternative route for the hydroxylation of organoborons through in situ generation of hydrogen peroxide. The present protocol explores the synthetic utility of amino acids as organocatalysts for the preparation of aryl alcs. It was observed that L-histidine plays an important role for the conversion of aerial oxygen into hydrogen peroxide via thermal excitation process followed by thermal degradation of Et3N. The developed approach holds good for a wide range of compounds with excellent yields and competent functional group tolerance. The experimental process involved the reaction of 2-Hydroxyphenylboronic acid(cas: 89466-08-0Computed Properties of C6H7BO3)

2-Hydroxyphenylboronic acid(cas: 89466-08-0) belongs to acyl phenylboronic acid. Phenylboronic acid (PBA) has been used to extract β-blockers (a class of aminoalcohol-containing drugs) from aqueous solution, rat, and human plasma. Computed Properties of C6H7BO3

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The author of 《Metal free synthesis of ethylene and propylene carbonate from alkylene halohydrin and CO2 at room temperature》 were Khokarale, Santosh Govind; Mikkola, Jyri-Pekka. And the article was published in RSC Advances in 2019. Related Products of 627-18-9 The author mentioned the following in the article:

Herein we describe a metal free and one-pot pathway for the synthesis of industrially important cyclic carbonates such as ethylene carbonate and propylene carbonates from mol. CO2 under mild reaction conditions. In the actual synthesis, the alkylene halohydrins such as alkylene chloro- or bromo or iodohydrin and organic superbase, 1,8-diazabicyclo-[5.4.0]-undec-7-ene (DBU) reacted equivalently with CO2 at room temperature The syntheses of cyclic carbonates were performed in DMSO as a solvent. Both 1,2 and 1,3 halohydrin precursors were converted into cyclic carbonates except 2-bromo- and iodoethanol, which were reacted equivalently with DBU through n-alkylation and formed corresponding n-alkylated DBU salts instead of forming cyclic carbonates. NMR anal. was used to identify the reaction components in the reaction mixture whereas this technique was also helpful in terms of understanding the reaction mechanism of cyclic carbonate formation. The mechanistic study based on the NMR anal. studies confirmed that prior to the formation of cyclic carbonate, a switchable ionic liquid formed in situ from alkylene chlorohydrin, DBU and CO2. As a representative study, the synthesis of cyclic carbonates from 1,2 chlorohydrins was demonstrated where the synthesis was carried out using chlorohydrin as a solvent as well as a reagent. In this case, alkylene chlorohydrin as a solvent not only replaced DMSO in the synthesis but also facilitated an efficient separation of the reaction components from the reaction mixture The EC or PC, [DBUH][Cl] as well as an excess of the alkylene chlorhydrin were separated from each other following solvent extraction and distillation approaches. In this process, with the applied reaction conditions, >90% yields of EC and PC were achieved. Meanwhile, DBU was recovered from in situ formed [DBUH][Cl] by using NaCl saturated alk. solution Most importantly here, we developed a metal free, industrially feasible CO2 capture and utilization approach to obtain EC and PC under mild reaction conditions. After reading the article, we found that the author used 3-Bromopropan-1-ol(cas: 627-18-9Related Products of 627-18-9)

3-Bromopropan-1-ol(cas: 627-18-9) was used in the synthesis of fluorescent halide-sensitive quinolinium dyes and molten salt-polymers. Furthermore, it was used in the synthesis of chiral, quaternary prolines via cyclization of quaternary amino acids.Related Products of 627-18-9

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