Category: 4637-24-5

Formula: C5H13NO2In 2021 ,《New and practical synthesis of GS-441524, the key intermediate of remdesivir》 appeared in Heterocycles. The author of the article were Li, Bo; Wang, Han; Sun, Cong; Lu, Sheng; Kang, LinLin; Jiang, Shun. The article conveys some information:

A new and practical synthesis of GS-441524, the key intermediate for remdesivir, is developed. 4-Amino-7-iodopyrrolo[2,1-f][1,2,4]triazine is protected by DMF-DMA, and reacted with 2,3,5-tri-O-benzyl-D-ribonolactone to give the product in 61% isolated yield. The next cyanation and debenzylation are carried out at -30° successively in 67% yield over two steps with >99% purity (HPLC). Purification methods of the intermediates and the final product involved in the route are developed. The results came from multiple reactions, including the reaction of N,N-Dimethylformamide Dimethyl Acetal(cas: 4637-24-5Formula: C5H13NO2)

N,N-Dimethylformamide Dimethyl Acetal(cas: 4637-24-5) belongs to anime.Typically the presence of an amine functional group is deduced by a combination of techniques, including mass spectrometry as well as NMR and IR spectroscopies. 1H NMR signals for amines disappear upon treatment of the sample with D2O. In their infrared spectrum primary amines exhibit two N-H bands, whereas secondary amines exhibit only one.Formula: C5H13NO2

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In 2019,Synlett included an article by Kandula, Venu; Thota, Pradeep Kumar; Mallesham, Poosa; Raghavulu, K.; Chatterjee, Anindita; Yennam, Satyanarayana; Behera, Manoranjan. Synthetic Route of C5H13NO2. The article was titled 《Selectfluor-Mediated Tandem Cyclization of Enaminones for the Synthesis of 3-Fluorochromones》. The information in the text is summarized as follows:

An efficient synthesis of various 3-fluorochromones (3-fluoro-4H-chromene-4-ones) from enamino ketones by using Selectfluor was described. The key step in the synthesis involves tandem fluorination and cyclization to form 3-fluorochromones in good yields. The significant features of this method include simple operational procedures, a high purity of the product and excellent regioselectivity. In the part of experimental materials, we found many familiar compounds, such as N,N-Dimethylformamide Dimethyl Acetal(cas: 4637-24-5Synthetic Route of C5H13NO2)

N,N-Dimethylformamide Dimethyl Acetal(cas: 4637-24-5) belongs to anime. Halogenation, in which one or more hydrogen atoms of an amine is replaced by a halogen atom, occurs with chlorine, bromine, and iodine, as well as with some other reagents, notably hypochlorous acid (HClO). With primary amines the reaction proceeds in two stages, producing N-chloro- and N,N-dichloro-amines, RNHCl and RNCl2, respectively. With tertiary amines, an alkyl group may be displaced by a halogen.Synthetic Route of C5H13NO2

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Formula: C5H13NO2In 2022 ,《Practical and Highly Efficient Synthesis of Remdesivir from GS-441524》 appeared in ACS Omega. The author of the article were Hu, Tianwen; Zhu, Fuqiang; Xiang, Li; Shen, Jingshan; Xie, Yuanchao; Aisa, Haji A.. The article conveys some information:

A three-step sequence for preparing remdesivir, an important anti-SARS-CoV-2 drug, is described. Employing N,N-dimethylformamide di-Me acetal (DMF-DMA) as a protecting agent, this synthesis started from (2R,3R,4S,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydro-furan-2-carbonitrile (GS-441524) and consisted of three reactions, including protection, phosphoramidation, and deprotection. The advantages of this approach are as follows: (1) the protecting group could be removed under a mild deprotection condition, which avoided the generation of the degraded impurity; (2) high stereoselectivity was achieved in the phosphorylated reaction; (3) this synthesis could be performed successively without purification of intermediates. Moreover, the overall yield of this approach on a gram scale could be up to 85% with an excellent purity of 99.4% analyzed by high-performance liquid chromatog. (HPLC). The results came from multiple reactions, including the reaction of N,N-Dimethylformamide Dimethyl Acetal(cas: 4637-24-5Formula: C5H13NO2)

N,N-Dimethylformamide Dimethyl Acetal(cas: 4637-24-5) belongs to anime. Examples of direct uses of amines and their salts are as corrosion inhibitors in boilers and in lubricating oils (morpholine), as antioxidants for rubber and roofing asphalt (diarylamines), as stabilizers for cellulose nitrate explosives (diphenylamine), as protectants against damage from gamma radiation (diarylamines), as developers in photography (aromatic diamines), as flotation agents in mining, as anticling and waterproofing agents for textiles, as fabric softeners, in paper coating, and for solubilizing herbicides.Formula: C5H13NO2

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《Synthesis, single crystal X-ray structure, Hirshfeld surface analysis, DFT computations, docking studies on aurora kinases and an anticancer property of 3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-6-methoxy-4H-chromen-4-one》 was published in Crystals in 2020. These research results belong to Ahn, Seunghyun; Sung, Jiha; Lee, Ji Hye; Yoo, Miri; Lim, Yoongho; Shin, Soon Young; Koh, Dongsoo. SDS of cas: 4637-24-5 The article mentions the following:

The isoflavone compound 3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-6-methoxy-4H- chromen-4-one I was prepared and structurally characterized using NMR, mass spectrum and X- ray crystallog. Compound I, was crystallized in the monoclinic space group P21/n with the cell parameters; a = 7.1869(4) Å, b = 10.2764(6) Å, c = 19.6771(10) Å, β = 99.442(2)°, V = 1433.57(14) Å3, Z = 4. In the title compound, the chromenone ring system was slightly twisted from planarity and the dihedral angle formed between the plane of the chromenone ring and benzene ring is 47.75°. Several intermol. hydrogen bonds made the crystal stabilized in the three- dimensional structure, which was confirmed by Hirshfeld surface anal. D. functional theory (DFT) calculations at the B3LYP/6-311++G(d,p) level were carried out and the calculated geometric parameters were compared with the exptl. results. A frontier MO calculation was performed to reveal that the energy values of HOMO (HOMO) and lowest un-occupied MO (LUMO) were -5.8223 eV and -1.8447 eV, and the HOMO-LUMO energy gap was 3.9783 eV. A clonogenic long-term survival assay of compound 6 against HCT116 human colon cancer cells showed an anti-cancer ability, with GI50 value of 24.9μM. Docking experiments within the active sites of aurora kinase A and B were carried out to explain the anti-cancer property of compound I. The experimental process involved the reaction of N,N-Dimethylformamide Dimethyl Acetal(cas: 4637-24-5SDS of cas: 4637-24-5)

N,N-Dimethylformamide Dimethyl Acetal(cas: 4637-24-5) belongs to anime. The methylamines occur in small amounts in some plants. Many polyfunctional amines (i.e., those having other functional groups in the molecule) occur as alkaloids in plants—for example, mescaline, 2-(3,4,5-trimethoxyphenyl)ethylamine; the cyclic amines nicotine, atropine, morphine, and cocaine; and the quaternary salt choline, N-(2-hydroxyethyl)trimethylammonium chloride, which is present in nerve synapses and in plant and animal cells.SDS of cas: 4637-24-5

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《New Synthetic Route to Tucatinib》 was written by Yin, Lingfeng; Mao, Yongjun; Liu, Yaowei; Bu, Lehao; Zhang, Long; Chen, Wenxin. SDS of cas: 4637-24-5This research focused ontucatinib preparation. The article conveys some information:

A new and improved synthetic route to tucatinib was described that involves three key intermediates. The first of these, 4-([1,2,4]triazolo[1,5- a]pyridin-7-yloxy)-3-methylaniline was prepared on a 100 g scale in 33% yield over five steps and 99% purity. Next, N4-(4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-methylphenyl)quinazoline-4,6-diamine was isolated in 67% yield over three steps and >99% purity. Then, 4,4-dimethyl-2-(methylthio)-4,5-dihydrooxazole trifluoromethanesulfonate was prepared under mild conditions in 67% yield over two steps. Finally, tucatinib was obtained in 17% yield over nine steps and in >99% purity (HPLC). Purification methods used to isolate the product and the intermediates involved in the route were also reported. After reading the article, we found that the author used N,N-Dimethylformamide Dimethyl Acetal(cas: 4637-24-5SDS of cas: 4637-24-5)

N,N-Dimethylformamide Dimethyl Acetal(cas: 4637-24-5) 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.SDS of cas: 4637-24-5

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The author of 《Integrated pyrazolo[1,5-a]pyrimidine-hemicyanine system as a colorimetric and fluorometric chemosensor for cyanide recognition in water》 were Tigreros, Alexis; Rosero, Hernan-Alejandro; Castillo, Juan-Carlos; Portilla, Jaime. And the article was published in Talanta in 2019. Computed Properties of C5H13NO2 The author mentioned the following in the article:

A new probe for cyanide detection based on the integrated pyrazolo[1,5-a]pyrimidine-hemicyanine (PpHe) system was synthesized in an efficient and straightforward manner using microwave-assisted heating. Photophys. studies in a 100% aqueous solution demonstrated high cyanide selectivity and detection limits as low as 600 and 86 nmol/L for UV-vis absorption and fluorescence emission, resp. Both values are <<1900 nmol/L, which is the maximum concentration permitted for drinking water by the WHO. HRMS anal. and NMR experiments were performed to confirm the mechanism of detection based on blocking the ICT phenomenon via nucleophilic addition of CN- on the C=N+ bond (iminium salt moiety) of the probe. In addition to this study using N,N-Dimethylformamide Dimethyl Acetal, there are many other studies that have used N,N-Dimethylformamide Dimethyl Acetal(cas: 4637-24-5Computed Properties of C5H13NO2) was used in this study.

N,N-Dimethylformamide Dimethyl Acetal(cas: 4637-24-5) belongs to anime. Left-handed and right-handed forms (mirror-image configurations, known as optical isomers or enantiomers) are possible when all the substituents on the central nitrogen atom are different (i.e., the nitrogen is chiral). With amines, there is extremely rapid inversion in which the two configurations are interconverted.Computed Properties of C5H13NO2

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《Cyanide chemosensors based on 3-dicyanovinylpyrazolo[1,5-a]pyrimidines: Effects of peripheral 4-anisyl group substitution on the photophysical properties》 was published in Talanta in 2020. These research results belong to Tigreros, Alexis; Castillo, Juan-Carlos; Portilla, Jaime. Related Products of 4637-24-5 The article mentions the following:

Novel dual-mode colorimetric/fluorometric probes based on 3-dicyanovinylpyrazolo[1,5-a]pyrimidines for cyanide (CN-) sensing have been developed (DPPa-c). These probes displayed high selectivity and sensitivity toward CN- over other interfering anions, with a detection limit (LOD) as low as 610/170 nmol L-1 (absorption/emission) for some of the prepared probes. After a reaction with CN-, low-fluorescent DPPa-c showed a significant decrease of the intramol. charge transfer (ICT) bands at approx. 390 nm (color changes from yellow to colorless) and exhibited up to an 82-fold fluorescence enhancement at approx. 465 nm (strong blue-light emission). The successive introduction of 4-anisyl (4-MeOPh) groups on periphery of the heterocyclic core had a dramatic influence on both the photophys. properties and CN- detection capability. The number of channels for CN- quantification in the absorption spectra increased from 1 in DPPa to 3 in DPPc. Moreover, the fluorescence emission LOD decreased from 300 nmol L-1 in DPPa to 170 nmol L-1 in DPPc. Finally, the selectivity toward CN- demonstrated a notable improvement when the probe had three 4-anisyl groups in its periphery (i.e., DPPc). The experimental part of the paper was very detailed, including the reaction process of N,N-Dimethylformamide Dimethyl Acetal(cas: 4637-24-5Related Products of 4637-24-5)

N,N-Dimethylformamide Dimethyl Acetal(cas: 4637-24-5) belongs to anime. The methylamines occur in small amounts in some plants. Many polyfunctional amines (i.e., those having other functional groups in the molecule) occur as alkaloids in plants—for example, mescaline, 2-(3,4,5-trimethoxyphenyl)ethylamine; the cyclic amines nicotine, atropine, morphine, and cocaine; and the quaternary salt choline, N-(2-hydroxyethyl)trimethylammonium chloride, which is present in nerve synapses and in plant and animal cells.Related Products of 4637-24-5

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《Single crystal X-ray structure for the disordered two independent molecules of novel isoflavone: synthesis, hirshfeld surface analysis, inhibition and docking studies on IKKβ of 3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-6,7-dimethoxy-4H-chromen-4-one》 was published in Crystals in 2020. These research results belong to Shin, Soon Young; Lee, Young Han; Lim, Yoongho; Lee, Ha Jin; Lee, Ji Hye; Yoo, Miri; Ahn, Seunghyun; Koh, Dongsoo. Formula: C5H13NO2 The article mentions the following:

The structure of the isoflavone compound, I was elucidated by 2D-NMR spectra, mass spectrum and single crystal X-ray crystallog. Compound I was crystallized in the monoclinic space group P21/c with the cell parameters; a = 12.0654(5) Å, b = 11.0666(5) Å, c = 23.9550(11) Å, β = 101.3757(16)°, V = 3135.7(2) Å3, and Z = 8. The asym. unit of compound I consists of two independent mols. 5I and 5II. Both mols. exhibit the disorder of each methylene group present in their 1,4-dioxane rings with relative occupancies of 0.599(10) (5I) and 0.812(9) (5II) for the major component A, and 0.401(10) (5I) and 0.188(9) (5II) for the minor component B, resp. Each independent mol. revealed remarkable discrepancies in bond lengths, bond angles and dihedral angles in the disordered regions of 1,4-dioxane rings. The common feature of the mols. 5I and 5II were a chromone ring and a benzodioxin ring, which are more tilted towards each other in 5I than in 5II. An addnl. difference between the mols. was seen in the relative disposition of two methoxy substituents. In the crystal, the mol. 5II forms inversion dimers which were linked into chains along an a-axis direction by intermol. C-H···O interactions. Addnl. C-H···O hydrogen bonds connected the mols. 5I and 5II each other to form a three-dimensional network. Hirshfeld surface anal. evaluated the relative intermol. interactions which contribute to each crystal structure 5I and 5II. Western blot anal. demonstrated that compound 5 inhibited the TNFα-induced phosphorylation of IKKα/β, resulting in attenuating further downstream NF-κB signaling. A mol. docking study predicted the possible binding of compound I to the active site of IKKβ. Compound I showed an inhibitory effect on the clonogenicity of HCT116 human colon cancer cells. These results suggest that compound I was used as a platform for the development of an anti-cancer agent targeting IKKα/β. In the experimental materials used by the author, we found N,N-Dimethylformamide Dimethyl Acetal(cas: 4637-24-5Formula: C5H13NO2)

N,N-Dimethylformamide Dimethyl Acetal(cas: 4637-24-5) 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: C5H13NO2

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《Highly Regioselective Synthesis of Multisubstituted Pyrroles via Ag-Catalyzed [4+1C]insert Cascade》 was written by Luo, Kaixiu; Mao, Shuai; He, Kun; Yu, Xianglin; Pan, Junhong; Lin, Jun; Shao, Zhihui; Jin, Yi. SDS of cas: 4637-24-5 And the article was included in ACS Catalysis in 2020. The article conveys some information:

An efficient [4+1C]insert approach to the coupling of enaminones with donor/acceptor or donor/donor carbenes by AgOTf catalyzed C-C bond carbenoid formal insertion/cyclization/[1,5]-shift cascade reaction was successfully developed, providing distinct chemo- and regio-selective multisubstituted pyrroles I [R = Me, Ph, 2-thienyl, etc.; R1 = Ph, 2-furanyl, 2-naphthyl, etc.; R2 = Et, cyclopropyl, Ph, etc.; R3 = CO2Me, CO2Et, Ph, etc.]. The plausible reaction mechanism involved two catalytic cycles, in the first one, silver ions regioselectively catalyze the C-C bond insertion reaction and in second one, silver ions chemo- and regio-selectively control the cyclization and [1,5]-shift reactions. This method not only provided convenience and applies atom economy in the synthesis multisubstituted pyrroles but also presents an entry point for further pyrrole diversification via facile modification of resulting 4-H-pyrrole products, as displayed by a short formal synthesis of the natural product lamellarin L. In addition to this study using N,N-Dimethylformamide Dimethyl Acetal, there are many other studies that have used N,N-Dimethylformamide Dimethyl Acetal(cas: 4637-24-5SDS of cas: 4637-24-5) was used in this study.

N,N-Dimethylformamide Dimethyl Acetal(cas: 4637-24-5) 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.SDS of cas: 4637-24-5

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Marijan, Sandra; Mastelic, Angela; Markotic, Anita; Rezic-Muzinic, Nikolina; Vucenovic, Nikolina; Barker, David; Pilkington, Lisa I.; Reynisson, Johannes; Culic, Vedrana Cikes published their research in Medicines in 2021. The article was titled 《Thieno[2,3-b]Pyridine Derivative Targets Epithelial, Mesenchymal and Hybrid CD15s+ Breast Cancer Cells》.COA of Formula: C5H13NO2 The article contains the following contents:

The adhesion of cancer cells to vascular endothelium is a critical process in hematogenous metastasis and might be similar to the recruitment of leukocytes at the site of inflammation. It is mediated by E-selectin and its ligands, of which the most stereospecific is a glycoconjugate sialyl Lewis x (CD15s), which may be expressed as an oligosaccharide branch of the CD44 glycoprotein, as well as a self-contained glycosphingolipid. It is also known that increased sialylation of glycoconjugates is a feature of malignant cells. The aim of the study was to analyze the effect of a novel thieno[2,3-b]pyridine, compound 1, in MDA-MB-231 triple-neg. breast cancer cells (TNBCs) upon CD15s and CD44 expression in different cell subpopulations using flow cytometry. CD15s expression was compared between mesenchymal-like cancer stem cells (CSC, CD44+CD24-), epithelial cells without CD44 (CD44-CD24+ and CD44-CD24-), and CD44+CD24+ cells that exhibit mesenchymal and epithelial features. In addition, expression of CD44 in CD15s+CSC and CD15s-CSC was determined Compound 1 significantly decreased the percentage of CD15s+CSC, CD15s+CD44+CD24+, and CD15s+CD44- subpopulations, as well as the expression of CD15s in CD44+CD24+ and CD44- cells, and therefore shows potential as a treatment for TNBC. The experimental part of the paper was very detailed, including the reaction process of N,N-Dimethylformamide Dimethyl Acetal(cas: 4637-24-5COA of Formula: C5H13NO2)

N,N-Dimethylformamide Dimethyl Acetal(cas: 4637-24-5) 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.COA of Formula: C5H13NO2

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