Tag: 0-100

Driessen, Daniel; Biesen, Lukas; Mueller, Thomas J. J. published an article in 2021. The article was titled 《Sequentially Catalyzed Three-Component Masuda-Suzuki-Sonogashira Synthesis of Fluorescent 2-Alkynyl-4-(7-azaindol-3-yl)pyrimidines: Three Palladium-Catalyzed Processes in a One-Pot Fashion》, and you may find the article in Synlett.Computed Properties of C3H6O2 The information in the text is summarized as follows:

The Masuda-Suzuki-Sonogashira sequence efficiently united in a one-pot fashion, a borylation, an arylation and an alkynylation in the sense of a sequentially Pd-catalyzed three-component reaction to give fluorescent 2-alkynyl-4-(7-azaindol-3-yl)pyrimidines in yields of 24-83%. Time-dependent d.-functional theory calculations supported the electronic structure of the longest wavelength absorption bands, and revealed that this novel consecutive three-component synthesis opened an efficient access to alkynyl meriolins, a novel class of potential inducers of apoptosis. In the part of experimental materials, we found many familiar compounds, such as Oxetan-3-ol(cas: 7748-36-9Computed Properties of C3H6O2)

Oxetan-3-ol(cas: 7748-36-9) is used as a reagent in the synthesis of 5-fluoro-4,6-dialkoxypyrimidine GPR119 agonists. It is also used as a reagent in the synthesis of cyclic sulfone hydroxyethylamines as potent and selective β-site APP-cleaving enzyme 1 (BACE1) inhibitors.Computed Properties of C3H6O2

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《Pyrolytic characteristics of fine materials from municipal solid waste using TG-FTIR, Py-GC/MS, and deep learning approach: Kinetics, thermodynamics, and gaseous products distribution》 was written by Lin, Kunsen; Tian, Lu; Zhao, Youcai; Zhao, Chunlong; Zhang, Meilan; Zhou, Tao. Safety of (R)-Oxiran-2-ylmethanol And the article was included in Chemosphere on April 30 ,2022. The article conveys some information:

Fine materials (FM) from municipal solid waste (MSW) classification require disposal, and pyrolysis is a feasible method for the treatments. Hence, the behavior, kinetics, and products of FM pyrolysis were investigated in this study. A deep learning algorithm was firstly employed to predict and verify the TG data during the process of FM pyrolysis. The results showed that FM pyrolysis could be divided into drying (<138 °C), de-volatilization (138-570 °C), and decomposition stage (≥570 °C above). The de-volatilization can further be divided into stage 2 and stage 3, with values of activation energy estimated by Flynn-Wall-Ozawa and Kissinger-Akahira-Sunose methods as 123.35 and 172.95 kJ/mol, resp. The gas products like H2O, CO2, CH4, and CO, as well as functional groups like phenols and carbonyl (C=O), were all detected during the process of FM pyrolysis by thermogravimetric-fourier transform IR spectrometry at a heating rate of 10 °C/min. The main species detected by pyrolysis-gas chromatog.-mass spectrometry analyzer included acid (41.98%) and aliphatic hydrocarbon (22.44%). Finally, the 1D-CNN-LSTM algorithm demonstrated an outstanding generalization capability to predict the relationship between FM composition and temperature, with R2 reaching 93.91%. In sum, this study provided a reference for the treatment of FM from MSW classification as well as the feasibility and practicability of deep learning applied in pyrolysis. The experimental part of the paper was very detailed, including the reaction process of (R)-Oxiran-2-ylmethanol(cas: 57044-25-4Safety of (R)-Oxiran-2-ylmethanol)

(R)-Oxiran-2-ylmethanol(cas: 57044-25-4) is a chiral building block used to construct an epoxyvinyl iodide intermediate in a synthesis of a furanocembrane, a marine natural product.Safety of (R)-Oxiran-2-ylmethanol

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《New approach for the one-pot synthesis of 1,3,5-triazine derivatives: Application of Cu(I) supported on a weakly acidic cation-exchanger resin in a comparative study》 was written by Havrankova, Eva; Csollei, Jozef; Pazdera, Pavel. Related Products of 156-87-6This research focused ontriazine preparation one pot synthesis copper acidic resin catalyst; 1,3,5-triazine; Ullmann reaction; one-pot synthesis; supported Cu(I) catalyst. The article conveys some information:

An efficient and simple methodol. for Ullmann Cu(I)-catalyzed synthesis of di- and trisubstituted 1,3,5-triazine derivatives from dichlorotriazinyl benzenesulfonamide and nucleophiles is reported. Cations Cu(I)-supported on macroporous and weakly acidic, low-cost industrial resin of polyacrylate type were used as a catalyst. The reaction times and yields were compared with traditional synthetic methods for synthesis of the substituted 1,3,5-triazine derivatives via nucleophilic substitution of chlorine atoms in dichlorotriazinyl benzenesulfonamide. It was found that Ullmann-type reactions provide significantly shortened reaction times and, in some cases, also higher yields. Finally, trisubstituted s-triazine derivatives were effectively prepared via Ullmann-type reaction in a one-pot synthetic design. Six new s-triazine derivatives with potential biol. activity were prepared and characterized. The results came from multiple reactions, including the reaction of 3-Aminopropan-1-ol(cas: 156-87-6Related Products of 156-87-6)

3-Aminopropan-1-ol(cas: 156-87-6) belongs to anime. Nitrous acid converts secondary amines (aliphatic or aromatic) to N-nitroso compounds (nitrosamines): R2NH + HNO2 → R2N―NO. Some nitrosamines are potent cancer-inducing substances, and their possible formation is a serious consideration when nitrites, which are salts of nitrous acid, are present in foods or pharmaceutical preparations. Tertiary amines give rise to nitrosamines more slowly; an alkyl group is eliminated as an aldehyde or ketone, along with nitrous oxide, N2O.Related Products of 156-87-6

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Quality Control of Oxetan-3-olIn 2022 ,《Trifluoromethyl Selenoxides: Electrophilic Reagents for C-H Trifluoromethylselenolation of (Hetero)Arene》 was published in Organic Letters. The article was written by Li, Yang; Wang, Yanan; Ye, Zhegao; Zhang, Shangbiao; Ye, Xiaodong; Yuan, Zheliang. The article contains the following contents:

Herein, designed and synthesized the new electrophilic trifluoromethylselenolation reagents, trifluoromethyl selenoxides I [X = H, CF3, CN], which were easy to prepare and easy-to-handle and were not moisture or air sensitive. The selenoxides are successfully applied to metal-free C-H trifluoromethylselenolation of a series of (hetero)arenes to gave ((trifluoromethyl)selanyl)aryl ArSeCF3 [Ar = 4-HOC6H4, 1H-indol-3-yl, (5-methoxycarbonyl-1H-pyrrol-3-yl), etc.]. After reading the article, we found that the author used Oxetan-3-ol(cas: 7748-36-9Quality Control of Oxetan-3-ol)

Oxetan-3-ol(cas: 7748-36-9) is used as a reagent in the synthesis of 5-fluoro-4,6-dialkoxypyrimidine GPR119 agonists. It is also used as a reagent in the synthesis of cyclic sulfone hydroxyethylamines as potent and selective β-site APP-cleaving enzyme 1 (BACE1) inhibitors.Quality Control of Oxetan-3-ol

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Reference of 3-Aminopropan-1-olIn 2020 ,《Carbon utilization based on post-treatment of desalinated reject brine and effect of structural properties of amines for CaCO3 polymorphs control》 appeared in Desalination. The author of the article were Yoo, Yunsung; Kang, Dongwoo; Park, Sangwon; Park, Jinwon. The article conveys some information:

This study proposed simultaneous disposal and utilization process of desalinated reject brine and CO2, or brine-based carbon capture and utilization (CCU). Using metal cations in desalinated reject brine, the feasibility of amines with different structural properties as crystallization inhibitors, morphol. controller of calcium carbonate formation was investigated in this study. Ca2+ ions were separated from desalinated reject brine in a salt refining plant by using a pH swing method and used for CaCO3 formation. Through this process, disposal of the large amount of metal cations in the desalinated reject brine was achieved. CO2 was selectively captured by alkanolamine, alkylamine, and multi-amine CO2 carriers with numerous amino groups and carried into the separated Ca(OH)2 to generate CaCO3. X-ray diffraction (XRD), SEM (SEM), and Fourier-transform IR spectroscopy (FT-IR) were used to investigate crystal shape and polymorph of the product. Addnl., thermogravimetric/derivative thermogravimetric anal. (TG/DTG) was used for purity anal. The results demonstrated that crystallization inhibition depending on structural properties of amines was possible, leading to successful CaCO3 polymorph control. The results of this research can be applied to process where the industrial production of metal carbonates based on inorganic CCU and disposal of the desalinated reject brine were involved. In the part of experimental materials, we found many familiar compounds, such as 3-Aminopropan-1-ol(cas: 156-87-6Reference of 3-Aminopropan-1-ol)

3-Aminopropan-1-ol(cas: 156-87-6) belongs to anime. To avoid the problem of multiple alkylation, methods have been devised for “blocking” substitution so that only one alkyl group is introduced. The Gabriel synthesis is one such method; it utilizes phthalimide, C6H4(CO)2NH, whose one acidic hydrogen atom has been removed upon the addition of a base such as KOH to form a salt.Reference of 3-Aminopropan-1-ol

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《Reactions of Criegee Intermediates are Enhanced by Hydrogen-Atom Relay Through Molecular Design》 was published in ChemPhysChem in 2020. These research results belong to Kuo, Mei-Tsan; Takahashi, Kaito; Lin, Jim Jr-Min. Formula: C3H9NO The article mentions the following:

We report a type of highly efficient double hydrogen atom transfer (DHAT) reaction. The reactivities of 3-aminopropanol and 2-aminoethanol towards Criegee intermediates (syn- and anti-CH3CHOO) were found to be much higher than those of n-propanol and propylamine. Quantum chem. calculation has confirmed that the main mechanism of these very rapid reactions is DHAT, in which the nucleophilic attack of the NH2 group is catalyzed by the OH group which acts as a bridge of HAT. Typical gas-phase DHAT reactions are termol. reactions involving two hydrogen bonding mols.; these reactions are typically slow due to the substantial entropy reduction of bringing three mols. together. Putting the reactive and catalytic groups in one mol. circumvents the problem of entropy reduction and allows us to observe the DHAT reactions even at low reactant concentrations This idea can be applied to improve theor. predictions for atmospherically relevant DHAT reactions. In the part of experimental materials, we found many familiar compounds, such as 3-Aminopropan-1-ol(cas: 156-87-6Formula: C3H9NO)

3-Aminopropan-1-ol(cas: 156-87-6) belongs to anime. Amine, any member of a family of nitrogen-containing organic compounds that is derived, either in principle or in practice, from ammonia (NH3). Naturally occurring amines include the alkaloids, which are present in certain plants; the catecholamine neurotransmitters (i.e., dopamine, epinephrine, and norepinephrine); and a local chemical mediator, histamine, that occurs in most animal tissues.Formula: C3H9NO

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The author of 《Heterocyclic iodoniums as versatile synthons to approach diversified polycyclic heteroarenes》 were Zhu, Daqian; Wu, Zhouming; Liang, Liyun; Sun, Yameng; Luo, Bingling; Huang, Peng; Wen, Shijun. And the article was published in RSC Advances in 2019. Application In Synthesis of 4-Aminobutan-1-ol The author mentioned the following in the article:

In current work, unique iodoniums were employed to construct various complex polycyclic heteroarenes, e.g., I with structural diversity via tandem dual arylations. As a result, indole, thiophene and triphenylene motifs were fused into these heterocycles with high mol. quality, which might provide promising fragments in drug discovery. Moreover, these heterocycles could be diversified at a late stage.4-Aminobutan-1-ol(cas: 13325-10-5Application In Synthesis of 4-Aminobutan-1-ol) was used in this study.

4-Aminobutan-1-ol(cas: 13325-10-5) is used in the synthesis of NSAIDs with anti-inflammatory properties. Also used in the synthesis of polyamine transport ligands with specificity against human cancers allowing easy access to specific cancer cells.Application In Synthesis of 4-Aminobutan-1-ol

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Sheng, Rui; Zhang, Yang; Kang, Jingjing; Tang, Yakun; Zhu, Caixia; Liu, Lang published their research in ChemistrySelect in 2021. The article was titled 《Nanorod-Like Polymer Adsorbents with Intermediate Dihydroxy Functional Groups for Efficient Boron Removal》.Computed Properties of C3H9NO2 The article contains the following contents:

Intermediate dihydroxy (m-diol) compounds act as grafting groups and one-dimensional Poly(VBC-DVB) copolymer as supporter, the short rod-like adsorbents were prepared by grafting trihydroxymethyl aminomethane (TRIS) and 2-amino-1, 3-propanediol (APD) on the polymer Poly(VBC-DVB). The as-synthesized adsorbents exhibit excellent boron adsorption capacities in neutral and weakly alk. solutions because of the formation of stable six-membered ring complexes. The novel boron adsorbents have potential applications in boron removal. In the part of experimental materials, we found many familiar compounds, such as 2-Aminopropane-1,3-diol(cas: 534-03-2Computed Properties of C3H9NO2)

2-Aminopropane-1,3-diol(cas: 534-03-2) belongs to anime. Amines characteristically form salts with acids; a hydrogen ion, H+, adds to the nitrogen. With the strong mineral acids (e.g., H2SO4, HNO3, and HCl), the reaction is vigorous. Salt formation is instantly reversed by strong bases such as NaOH. Neutral electrophiles (compounds attracted to regions of negative charge) also react with amines; alkyl halides (R′X) and analogous alkylating agents are important examples of electrophilic reagents.Computed Properties of C3H9NO2

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Yoneyama, Tohru; Hatakeyama, Shingo; Sutoh-Yoneyama, Mihoko; Yoshiya, Taku; Uemura, Tsuyoshi; Ishizu, Takehiro; Suzuki, Minoru; Hachinohe, Shingo; Ishiyama, Shintaro; Nonaka, Motohiro; Fukuda, Michiko N.; Ohyama, Chikara published their research in BMC Cancer in 2021. The article was titled 《Tumor vasculature-targeted 10B delivery by an Annexin A1-binding peptide boosts effects of boron neutron capture therapy》.Formula: C3H9NO The article contains the following contents:

P-Boronophenylalanine (10BPA) is a powerful 10B drug used in current clin. trials of BNCT. For BNCT to be successful, a high (500 mg/kg) dose of 10BPA must be administered over a few hours. Here, we report BNCT efficacy after rapid, ultralow-dose administration of either tumor vasculature-specific annexin A1-targeting IFLLWQR (IF7)-conjugated 10BPA or borocaptate sodium (10BSH). (1) IF7 conjugates of either 10B drugs i.v. injected into MBT2 bladder tumor-bearing mice and biodistribution of 10B in tumors and normal organs analyzed by prompt gamma-ray anal. (2) Therapeutic effect of IF7-10B drug-mediated BNCT was assessed by either MBT2 bladder tumor bearing C3H/He mice and YTS-1 tumor bearing nude mice. I.v. injection of IF7C conjugates of either 10B drugs into MBT2 bladder tumor-bearing mice promoted rapid 10B accumulation in tumor and suppressed tumor growth. Moreover, multiple treatments at ultralow (10-20 mg/kg) doses of IF7-10B drug-mediated BNCT significantly suppressed tumor growth in a mouse model of human YTS-1 bladder cancer, with increased Anxa1 expression in tumors and infiltration by CD8-pos. lymphocytes. We conclude that IF7 serves as an efficient 10B delivery vehicle by targeting tumor tissues via the tumor vasculature and could serve as a relevant vehicle for BNCT drugs. The experimental process involved the reaction of 3-Aminopropan-1-ol(cas: 156-87-6Formula: C3H9NO)

3-Aminopropan-1-ol(cas: 156-87-6) belongs to anime. Amine, any member of a family of nitrogen-containing organic compounds that is derived, either in principle or in practice, from ammonia (NH3). Naturally occurring amines include the alkaloids, which are present in certain plants; the catecholamine neurotransmitters (i.e., dopamine, epinephrine, and norepinephrine); and a local chemical mediator, histamine, that occurs in most animal tissues.Formula: C3H9NO

Referemce:
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Chen, Ye; Zhang, Pengfei; Liu, Shan; Pahovnik, David; Zagar, Ema; Zhao, Junpeng; Zhang, Guangzhao published their research in ACS Macro Letters in 2021. The article was titled 《Noncovalent Protection for Direct Synthesis of α-Amino-ω-hydroxyl Poly(ethylene oxide)》.Formula: C3H9NO2 The article contains the following contents:

The synthesis of poly(ethylene oxide) (PEO) with amino end group, a key functionality for PEGylation, is a long-standing challenge. Multistep routes based on postmodification or covalent protection have been adopted to circumvent ethoxylation of the amino group by ethylene oxide (EO). Here, we report a noncovalent protection strategy for one-step synthesis of PEO amine. An amino (di)alc. is mixed with a small amount of mild phosphazene base and excess triethylborane (Et3B) before addition of EO. The complexation of the amino group with Et3B guarantees that polymerization of EO occurs selectively from the hydroxyl group through the bicomponent metal-free catalysis. Simply by precipitation in di-Et ether, the protective Et3B as well as the catalyst can be removed to afford α-amino-ω-hydroxyl PEO with controlled molar mass, low dispersity, and complete end functionality. The effect of initiator structure and retention of Et3B on the storage (oxidative) stability of PEO amine is also revealed. In the experiment, the researchers used many compounds, for example, 2-Aminopropane-1,3-diol(cas: 534-03-2Formula: C3H9NO2)

2-Aminopropane-1,3-diol(cas: 534-03-2) belongs to anime. In organic chemistry, amines are compounds and functional groups that contain a basic nitrogen atom with a lone pair. Amines are formally derivatives of ammonia (NH3), wherein one or more hydrogen atoms have been replaced by a substituent such as an alkyl or aryl group (these may respectively be called alkylamines and arylamines; amines in which both types of substituent are attached to one nitrogen atom may be called alkylarylamines).Formula: C3H9NO2

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