Tag: 100-200

《Radiosynthesis of a carbon-11 labeled PDE5 inhibitor [11C]TPN171 as a new potential PET heart imaging agent》 was written by Xu, Zhidong; Jia, Limeng; Liu, Wenqing; Li, Wei; Song, Ying; Zheng, Qi-Huang. Application In Synthesis of Methyl 3-oxovalerate And the article was included in Applied Radiation and Isotopes on August 31 ,2020. The article conveys some information:

To develop PET tracers for imaging of heart disease, a new carbon-11 labeled potent and selective PDE5 inhibitor [11C]TPN171 ([11C]9) has been synthesized. The reference standard TPN171 (9) and its corresponding precursor desmethyl-TPN171 (11) were synthesized from Me 3-oxovalerate and 2-hydroxybenzonitrile in 9 and 10 steps with 31% and 25% overall chem. yield, resp. The radiotracer [11C]TPN171 was prepared from desmethyl-TPN171 with [11C]CH3OTf through N-11C-methylation and isolated by HPLC purification followed by SPE formulation in 45-55% radiochem. yield, based on [11C]CO2 and decay corrected to EOB. The radiochem. purity was >99%, and the molar activity (Am) at EOB was in a range of 370-740 GBq/μmol.Methyl 3-oxovalerate(cas: 30414-53-0Application In Synthesis of Methyl 3-oxovalerate) was used in this study.

Methyl 3-oxovalerate(cas: 30414-53-0) belongs to ketone compounds. They are most widely used as solvents, especially in industries manufacturing explosives, lacquers, paints, and textiles. Ketones are also used in tanning, as preservatives, and in hydraulic fluids.Application In Synthesis of Methyl 3-oxovalerate

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

Category: esters-buliding-blocksIn 2022 ,《Investigation of solid state architectures in tetrazolyl tryptophol stabilized by crucial aromatic interactions and hydrogen bonding: Experimental and theoretical analysis》 was published in Journal of Molecular Structure. The article was written by Ibrar, Aliya; Zaib, Sumera; Hokelek, Tuncer; Simpson, Jim; McAdam, Christopher John; El Azab, Islam H.; Mersal, Gaber A. M.; Ibrahim, Mohamed M.; Frontera, Antonio; Khan, Imtiaz. The article contains the following contents:

The present study reports the synthesis of a new nitrogen rich hybrid compound namely tetrazolyl tryptophol 6 achieved through a multistep synthetic approach. The structure of the target tetrazole-indole hybrid was established using FTIR, 1H- and 13C NMR, HRMS, and X-ray diffraction data. Investigation of solid state architectures in tetrazolyl tryptophol revealed that an intramol. N5-H5N…N4 hydrogen bond links the 5-membered ring of the indole to the tetrazole ring. The O1-H1O… N3 and N1-H1N…O1 hydrogen bonds and π…π contacts also emerged as crucial contributors in the formation of supramol. topol. of tetrazole-indole hybrid. Numerous centroid to centroid contacts involving the aromatic rings of both the indole ring system and the tetrazole ring link adjacent mols. in an obverse face-to-face fashion. Hirshfeld surface anal. further revealed the prevailing significance of π…π and H-bonding contacts. The mech. stability of the crystal packing through crystal voids anal. and intermol. interaction energies were also calculated Finally, DFT calculations were performed to evaluate the hydrogen bonding and π…π stacking contacts with their rationalization and characterization using MEP surfaces, QTAIM and NCIPlot anal.Ethyl oxalyl monochloride(cas: 4755-77-5Category: esters-buliding-blocks) was used in this study.

Ethyl oxalyl monochloride(cas: 4755-77-5) 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.Category: esters-buliding-blocks

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

HPLC of Formula: 4248-19-5In 2020 ,《Diastereoselective Syntheses of Spiro[indoline-3,4′-pyridin]-2-yl Carbamates via AgOTf/Ph3P-Catalyzed Tandem Cyclizations of Tryptamine-Ynesulfonamides》 was published in Journal of Organic Chemistry. The article was written by Liang, Guoduan; Pang, Yadong; Ji, Yanjun; Zhuang, Kaitong; Li, Linji; Xie, Fukai; Yang, Lu; Cheng, Maosheng; Lin, Bin; Liu, Yongxiang. The article contains the following contents:

Spiro[indoline-3,4′-piperidine] is a significant structural scaffold in numerous polycyclic indole alkaloids with a variety of bioactivities. In this study, a synthetic strategy was developed to access spiro[indoline-3,4′-pyridin]-2-yl carbamate via an AgOTf/PPh3-catalyzed tandem cyclization of tryptamine-ynesulfonamides. The unique feature of this strategy is the efficient intermol. capturing of the in situ generated spiroindoleninium intermediates with carbamates, leading to the diastereoselective syntheses of spiro[indoline-3,4′-pyridin]-2-yl carbamate derivatives A broad scope of this cyclization was demonstrated by a variety of tryptamine-ynesulfonamide substrates and several carbamates. A plausible mechanism of this reaction was proposed. In the experiment, the researchers used tert-Butyl carbamate(cas: 4248-19-5HPLC of Formula: 4248-19-5)

tert-Butyl carbamate(cas: 4248-19-5) 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.HPLC of Formula: 4248-19-5

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

Category: esters-buliding-blocksIn 2015 ,《Effects of adsorbents on benzo(a)pyrene, sesamol, and sesamolin contents and volatile component profiles in sesame oil》 was published in Food Science and Biotechnology. The article was written by Shin, Bo Ram; Yang, Seung-Ok; Song, Hye-Won; Chung, Myung-Sub; Kim, Young-Suk. The article contains the following contents:

Effects of adsorbent treatments used for reduction of benzo(a)pyrene (BaP) levels in volatile profiles and sesamol and sesamolin antioxidant contents in sesame oil were evaluated. Charcoal-based activated carbons with different mesh sizes and celite were used as adsorbents. Treatment with activated carbons led to reductions in BaP contents of sesame oil. A small charcoal-based activated carbon particle size was more effective for removal of BaP. Celite; however, did not show an effect on the BaP content of sesame oil under the exptl. conditions. Volatile profiles of sesame oil were not influenced by addition of any adsorbent, and the sesamol and sesamolin contents were reduced by all adsorbents. In the part of experimental materials, we found many familiar compounds, such as Methyl 3-hydroxypropanoate(cas: 6149-41-3Category: esters-buliding-blocks)

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. Category: esters-buliding-blocks

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

Reference of Methyl SalicylateIn 2019 ,《Structure-function relationship of a citrus salicylate methylesterase and role of salicylic acid in citrus canker resistance》 was published in Scientific Reports. The article was written by Lima Silva, Caio Cesar de; Shimo, Hugo Massayoshi; de Felicio, Rafael; Mercaldi, Gustavo Fernando; Rocco, Silvana Aparecida; Benedetti, Celso Eduardo. The article contains the following contents:

Salicylic acid (SA) and its Me ester, Me salicylate (MeSA) are well known inducers of local and systemic plant defense responses, resp. MeSA is a major mediator of systemic acquired resistance (SAR) and its conversion back into SA is thought to be required for SAR. In many plant species, conversion of MeSA into SA is mediated by MeSA esterases of the SABP2 family. Here we show that the Citrus sinensis SABP2 homolog protein CsMES1 catalyzes the hydrolysis of MeSA into SA. Mol. modeling studies suggest that CsMES1 shares the same structure and SA-binding mode with tobacco SABP2. However, an amino acid polymorphism in the active site of CsMES1-related proteins suggested an important role in enzyme regulation. We present evidence that the side chain of this polymorphic residue directly influences enzyme activity and SA binding affinity in CsMES proteins. We also show that SA and CsMES1 transcripts preferentially accumulate during the incompatible interaction between Xanthomonas aurantifolii pathotype C and sweet orange plants. Moreover, we demonstrate that SA and MeSA inhibited citrus canker caused by Xanthomonas citri, Whereas an inhibitor of CsMES1 enhanced canker formation, suggesting that CsMES1 and SA play a role in the local defense against citrus canker bacteria. The experimental part of the paper was very detailed, including the reaction process of Methyl Salicylate(cas: 119-36-8Reference of Methyl Salicylate)

Methyl Salicylate(cas: 119-36-8) is a natural herbivore-induced plant volatile. It is a naturally occurring product in trees, legumes, exotic plants, vegetables, berries, and the primary constituent of the oil of wintergreen.Methyl Salicylate is produced from salicylic acid.Reference of Methyl Salicylate

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

Synthetic Route of C7H12O3In 2020 ,《Automated Synthesis of New Quinoxalinetacrines》 appeared in ChemistrySelect. The author of the article were Bautista-Aguilera, Oscar M.; Ismaili, Lhassane; Chioua, Mourad; Iriepa, Isabel; Angeles Martinez-Grau, Maria; Beadle, Christopher D.; Vetman, Tatiana; Lopez-Munoz, Francisco; Marco-Contelles, Jose. The article conveys some information:

The synthesis of novel quinoxalinetacrines e.g., I, a series of hybrids designed by juxtaposition of tacrine and quinoxaline is reported. The target compounds e.g., I have been obtained in moderate yields from 3-aminoquinoxaline-2-carbonitrile and suitable com. available ketones such as pentane-2,4-dione, 5,5-dimethylcyclohexane-1,3-dione, 1-benzoylpiperidin-4-one, etc. under microwave-promoted Friedlaender reactions catalyzed by aluminum trichloride or indium trichloride. These compounds e.g., I were synthesized remotely in Eli Lilly’s Automated Synthesis Laboratory as part of their Open Innovation Drug Discovery program. In addition to this study using Ethyl 3-oxopentanoate, there are many other studies that have used Ethyl 3-oxopentanoate(cas: 4949-44-4Synthetic Route of C7H12O3) was used in this study.

Ethyl 3-oxopentanoate(cas: 4949-44-4) belongs to ketone compounds. They are most widely used as solvents, especially in industries manufacturing explosives, lacquers, paints, and textiles. Ketones are also used in tanning, as preservatives, and in hydraulic fluids.Synthetic Route of C7H12O3

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

《Modular and scalable synthesis of nematode pheromone ascarosides: implications in eliciting plant defense response》 was published in Organic & Biomolecular Chemistry in 2020. These research results belong to Ning, Shuai; Zhang, Lei; Ma, Jinjin; Chen, Lan; Zeng, Guangyao; Yang, Chao; Zhou, Yingjun; Guo, Xiaoli; Deng, Xu. Electric Literature of C4H8O3 The article mentions the following:

A highly efficient and modular synthesis of nematode pheromone ascarosides was developed, which highlights a 4-step scalable synthesis of the common intermediate I in 23% yield from com. available L-rhamnose by using ortho-esterification/benzylation/ortho-ester rearrangement as the key step. Six diverse ascarosides were synthesized accordingly. Notably, biol. investigations revealed that ascaroside II (n = 4) and ascaroside II (n = 8) treatment resulted in enhanced callose accumulation in Arabidopsis leaves. Ascaroside II (n = 8) also increased the expression of defense-related genes such as PR1, PDF1.2, LOX2 and AOS, which might contribute to the enhanced plant defense responses. This study not only allows a facile access to 1-O, 2-O, and 4-O substituted ascarosides, but also provides valuable insights into their biol. activities in inducing plant defense response, as well as their mode of action. In the experimental materials used by the author, we found Methyl 3-hydroxypropanoate(cas: 6149-41-3Electric Literature of 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. Electric Literature of C4H8O3

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

《C3N4-Photocatalyzed aerobic oxidative cleavage of C=C bonds in alkynes with diazonium salts leading to two different aldehydes or esters in one pot》 was published in Catalysis Science & Technology in 2020. These research results belong to Wang, Jingjing; Ni, Bangqing; Niu, Tengfei; Ji, Fei. Application of 403-33-8 The article mentions the following:

A novel photocatalyzed radical addition/oxygen oxidation/cleavage of dioxetane/hydrogen atom transfer domino process for cleavage of CC bonds has been described. This protocol used porous graphitic carbon nitrides (p-g-C3N4) as a metal-free recyclable photocatalyst for transformations of alkynes RC6H4CC with diazonium salts R1C6H4N+N.BF4- to give two different aldehydes RC6H4CHO, R1C6H4CHO or esters RC6H4C(O)OMe, R1C6H4C(O)OMe, which enables the formation of multiple C-O bonds in a single reaction with operational simplicity. This reaction has an excellent substrate scope and gives the desired products in moderate to high yields. In addition, the heterogeneous semiconductor exhibits easy handling and excellent recyclability for at least 6 cycles without any apparent loss of activity. Furthermore, this reaction could be carried out under solar light irradiation and is applicable for the gram scale with satisfactory results. In the experiment, the researchers used Methyl 4-fluorobenzoate(cas: 403-33-8Application of 403-33-8)

Methyl 4-fluorobenzoate(cas: 403-33-8) is an organic fluorinated building block used for the synthesis of various pharmaceutical compounds. It can be used for the preparation of Blonanserin.Application of 403-33-8

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

The author of 《A highly selective and sensitive turn on optical probe as a promising molecular platform for rapid detection of Zn (II) ion in acetonitrile medium: Experimental and theoretical investigations》 were Budri, Mahantesh; Kadolkar, Prajakta; Gudasi, Kalagouda; Inamdar, Sanjeev. And the article was published in Journal of Molecular Liquids in 2019. Application of 119-36-8 The author mentioned the following in the article:

A highly Zn2+ ion responsive novel cation sensor (L) based on the dual mechanism (ESIPT/ICT) was designed, synthesized and characterized. The sensor L shows great turn on selectivity for Zn2+ ion in 1:1 stoichiometric manner via rapid color change and 5-fold fluorescence enhancement in CH3CN over other interfering cations. The addition of Zn2+ ion to L, triggers the deprotonation of imidolic and hydroxylic protons of L, which in turn shows an enhanced red shift in both UV-Vis and fluorescence spectra of the sensor. The limit of detection and binding constant obtained are well within those reported for Zn2+ ion. The theor. calculations were correlated with exptl. results to understand the sensing mechanism between host guest interactions and L distinguishes Zn2+ from Cd2+. Furthermore, bioimaging studies were undertaken to investigate practical usefulness of L to recognize Zn2+ ion using HeLa cells. The results came from multiple reactions, including the reaction of Methyl Salicylate(cas: 119-36-8Application of 119-36-8)

Methyl Salicylate(cas: 119-36-8) is a natural herbivore-induced plant volatile. It is a naturally occurring product in trees, legumes, exotic plants, vegetables, berries, and the primary constituent of the oil of wintergreen.Methyl Salicylate is produced from salicylic acid.Application of 119-36-8

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

The author of 《Design, synthesis and antimycobacterial activity of less lipophilic Q203 derivatives containing alkaline fused ring moieties》 were Wang, Apeng; Wang, Hongjian; Geng, Yunhe; Fu, Lei; Gu, Jian; Wang, Bin; Lv, Kai; Liu, Mingliang; Tao, Zeyu; Ma, Chao; Lu, Yu. And the article was published in Bioorganic & Medicinal Chemistry in 2019. Category: esters-buliding-blocks The author mentioned the following in the article:

We report herein the design and synthesis of a series of less lipophilic Q203 derivatives containing an alk. fused ring moiety. Most of them show considerable potency against MTB H37Rv strain (MIC < 0.25 μM). Nine compounds (13, 15, 19, 21, 23, 25, 29, 35, 36) have the same excellent activity against both drug-sensitive and -resistant strains (MIC < 0.035 μM) as Q203 and PBTZ169. Especially, compound 29 also displays acceptable safety, greater absorption in plasma and aqueous solubility than Q203, suggesting its promising potential to be lead compound for future antitubercular drug discovery. In the experimental materials used by the author, we found Ethyl 3-oxopentanoate(cas: 4949-44-4Category: esters-buliding-blocks)

Ethyl 3-oxopentanoate(cas: 4949-44-4) belongs to ketone compounds. They are most widely used as solvents, especially in industries manufacturing explosives, lacquers, paints, and textiles. Ketones are also used in tanning, as preservatives, and in hydraulic fluids.Category: esters-buliding-blocks

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