Month: January 2023

Immunomodulatory Constituents of Conocephalum conicum (Snake Liverwort) and the Relationship of Isolepidozenes to Germacranes and Humulanes was written by Radulovic, Niko S.;Filipovic, Sonja I.;Nesic, Milan S.;Stojanovic, Nikola M.;Mitic, Katarina V.;Mladenovic, Marko Z.;Randjelovic, Vladimir N.. And the article was included in Journal of Natural Products in 2020.Computed Properties of C6H10O2 This article mentions the following:

Structural elucidation of three new sesquiterpenoids, namely, (1Z,4E)-lepidoza-1(10),4-dien-14-ol (I), rel-(1(10)Z,4S,5E,7R)-germacra-1(10),6 diene-11,14-diol (2), and rel-(1(10)Z,4S,5E,7R)-humula-1(10),5-diene-7,14-diol (3), isolated from the liverwort Conocephalum conicum, was accomplished by a combination of extensive NMR experiments, ¹H NMR simulation, and other means. Addnl., the change of the identity of bicyclogermacren-14-al, previously reported as a C. conicum constituent, to isolepidozen-14-al is proposed. Compounds 2 and 3 appear to be related to I via hydration involving a shared intermediate, a substituted cyclopropylmethyl cation, formed by a highly regio- and stereoselective protonation of I, followed by a stereospecific fission of the three-membered ring. In other words, an isolepidozene derivative might be a branchpoint to humulanes and germacranes; this transformation could be of, up to now, unknown, biosynthetic and/or synthetic relevance. Multivariate statistical anal. of the compositional data of C. conicum extract constituents was used to probe the hypothesized biochem. relations. The immunomodulatory effect of I-3 and conocephalenol (4) was evaluated in an in vitro model on both nonstimulated and mitogen-stimulated rat splenocytes. The compounds displayed varying degrees of cytotoxicity to nonstimulated splenocytes, whereas 2 and 3 were found to exert immunosuppressive effects on Con A-stimulated splenocytes while not being cytotoxic at the same concentrations In the experiment, the researchers used many compounds, for example, 5-Ethyldihydrofuran-2(3H)-one (cas: 695-06-7Computed Properties of C6H10O2).

5-Ethyldihydrofuran-2(3H)-one (cas: 695-06-7) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits, including apples, durians, pears, bananas, pineapples, and strawberries. Esterification is the general name for a chemical reaction in which two reactants (typically an alcohol and an acid) form an ester as the reaction product. Esters are common in organic chemistry and biological materials.Computed Properties of C6H10O2

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

Divergent Synthesis of Molecular Winch Prototypes was written by Gisbert, Yohan;Abid, Seifallah;Kammerer, Claire;Rapenne, Gwenael. And the article was included in Chemistry – A European Journal in 2021.Related Products of 41191-92-8 This article mentions the following:

We report the synthesis of conceptually new prototypes of mol. winches [(η⁵-R₄C₅-bp-XTrzR¹)(Ind₃BH)Ru] [R = 4-FcC₆H₄; bp = 1,1′-biphenyl-4,4′-diyl; X = CH₂NHCOCH₂CH₂(OCH₂CH₂)₈; Trz = 1,2,3-triazole-1,4-diyl; R¹ = 9-triptycenyl (tpc), CH₂CH₂OCOC(C₆₀)CO₂Et, 3,5-C₆H₃(CC-9-tpc)₂, 10,20-(CCtpc)₂Por-Zn] with the ultimate aim to investigate the work performed by a single ruthenium-based mol. motor anchored on a surface by probing its ability to pull a load upon elec.-driven directional rotation. According to a technomimetic design, the motor was embedded in a winch structure, with a long flexible polyethylene glycol chain terminated by an azide hook to connect a variety of mol. loads. The structure of the motor was first derivatized by means of two sequential cross-coupling reactions involving a penta(4-halogenophenyl)cyclopentadienyl hydrotris(indazolyl)borate ruthenium(II) precursor and the resulting benzylamine derivative was next exploited as key intermediate in the divergent synthesis of a family of nanowinch prototypes. A one-pot method involving sequential peptide coupling and Cu-catalyzed azide-alkyne cycloaddition was developed to yield four loaded nanowinches, with load fragments encompassing triptycene, fullerene and porphyrin moieties. In the experiment, the researchers used many compounds, for example, Ethyl 3-amino-4-methylbenzoate (cas: 41191-92-8Related Products of 41191-92-8).

Ethyl 3-amino-4-methylbenzoate (cas: 41191-92-8) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits. Because of their lack of hydrogen-bond-donating ability, esters do not self-associate. Consequently, esters are more volatile than carboxylic acids of similar molecular weight.Related Products of 41191-92-8

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

Modified clerodanes from the essential oil of Dodonea viscosa leaves was written by Anonymous. And the article was included in Molecules in 2020.Recommanded Product: 659-70-1 This article mentions the following:

Dodonea viscosa (L.) Jacq from Reunion Island (Indian Ocean) was investigated for its leaf essential oil composition The plant was extracted by hydrodistillation and its essential oil analyzed by gas chromatog. coupled to mass spectrometry. This study revealed that oxygenated norditerpenes and diterpenes were one of the major chem. classes (> 50%) mainly consisting of three modified cyclopropylclerodanes containing a bicyclo[5.4.0]undecane ring system: one new furanoid norditerpene, dodovisate C, and two furanoid diterpenes, the known Me dodovisate A and the new Me iso-dodovisate A. These three compounds were isolated by liquid chromatog. and their structures established on the basis of spectroscopic studies. The absolute configuration of dodovisate C was elucidated through a joint exptl. and theor. (B3LYP/6-311+G(d,p)) electronic CD study. The relative configurations of Me dodovisate A and Me iso-dodovisate A were determined using linear regressions of theor. chem. shifts vs. exptl. values with the (B3LYP/6-311+G(d,p)) method. In the experiment, the researchers used many compounds, for example, Isopentyl 3-methylbutanoate (cas: 659-70-1Recommanded Product: 659-70-1).

Isopentyl 3-methylbutanoate (cas: 659-70-1) belongs to esters. Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones. Esters contain a carbonyl center, which gives rise to 120° C–C–O and O–C–O angles. Unlike amides, esters are structurally flexible functional groups because rotation about the C–O–C bonds has a low barrier. 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. Recommanded Product: 659-70-1

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

Microporous Formation Mechanism of Biaxial Stretching PA6/PP Membranes with High Porosity and Uniform Pore Size Distribution was written by Fang, Wenxiang;Liang, Guixue;Li, Jiang;Guo, Shaoyun. And the article was included in Polymers (Basel, Switzerland) in 2022.Application In Synthesis of 2,2-Bis(((3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl)oxy)methyl)propane-1,3-diyl bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate) This article mentions the following:

The low porosity and wide pore size distribution of biaxial stretching PP microporous membranes continue to be the primary impediments to their industrial application. To solve this problem, there is a critical and urgent need to study the micropore-forming mechanism of PP membranes. In this research, the interfacial micropore formation mechanism of PA6/PP membranes during biaxial stretching was investigated. PA6/PP membranes containing spherical PA6 and fibrillar PA6 were found to exhibit different interfacial micropore formation mechanisms. Numerous micropores were generated in the PA6/PP membranes, containing PA6 spherical particles via the interface separation between the PP matrix and PA6 spherical particles during longitudinal stretching. Subsequent transverse stretching further expanded the two-phase interface, promoting the breakdown and fibrosis of the PP matrix and forming a spider-web-like microporous structure centered on spherical PA6 particles. In PA6/PP membranes with PA6 fibers, fewer micropores were generated during longitudinal stretching, but the subsequent transverse stretching violently separated the PA6 fibers, resulting in a dense fiber network composed of PA6 fibers interwoven with PP fibers. Crucially, the PA6/PP biaxial stretching of microporous membranes presented an optimized pore structure, higher porosity, narrower pore size distribution, and better permeability than β-PP membranes. Furthermore, this study explored a new approach to the fabrication of high-performance PA6/PP microporous membranes, with good prospects for potential industrial application. In the experiment, the researchers used many compounds, for example, 2,2-Bis(((3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl)oxy)methyl)propane-1,3-diyl bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate) (cas: 6683-19-8Application In Synthesis of 2,2-Bis(((3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl)oxy)methyl)propane-1,3-diyl bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate)).

2,2-Bis(((3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl)oxy)methyl)propane-1,3-diyl bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate) (cas: 6683-19-8) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits, including apples, durians, pears, bananas, pineapples, and strawberries. Esterification is the general name for a chemical reaction in which two reactants (typically an alcohol and an acid) form an ester as the reaction product. Esters are common in organic chemistry and biological materials.Application In Synthesis of 2,2-Bis(((3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl)oxy)methyl)propane-1,3-diyl bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate)

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

Directed resolution of enantiomers by liquid chromatography of diastereomeric derivatives. 7. Syntheses of the stereoisomers of 17,21-dimethylheptatriacontane – sex recognition pheromone of the tsetse fly was written by Ade, Eugen;Helmchen, Guenter;Heiligenmann, Gudrun. And the article was included in Tetrahedron Letters in 1980.Safety of malonic acid dibutyl ester This article mentions the following:

(R,R)- And (S,S)-Me(CH₂)₁₅CHMe(CH₂)₃CHMe(CH₂)₁₅Me [(R,R)- and (S,S)-I] were both prepared in nine steps from (±)-Me(CH₂)₁₅CHMeCO₂H via diastereomeric amides and in eight steps in an asym. preparation from the ester II [R = Me for (S,S)-I; R = Me(CH₂)₁₅ for (R,R)-I]. (R,S)-I was also prepared In the experiment, the researchers used many compounds, for example, malonic acid dibutyl ester (cas: 1190-39-2Safety of malonic acid dibutyl ester).

malonic acid dibutyl ester (cas: 1190-39-2) belongs to esters. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Esterification is the general name for a chemical reaction in which two reactants (typically an alcohol and an acid) form an ester as the reaction product. Esters are common in organic chemistry and biological materials.Safety of malonic acid dibutyl ester

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

Synthesis of malonic esters catalyzed by tin tetrachloride adsorbed with active carbon was written by Xue, Laiqi;Zhang, Zhihong;Qi, Hongjiang. And the article was included in Huaxue Shijie in 1998.Quality Control of malonic acid dibutyl ester This article mentions the following:

Malonic esters (di-Pr malonate, di-Bu malonate, diisobutyl malonate, diamyl malonate, dioctyl malonate) were synthesized through the reaction of malonic acid with corresponding alcs. under the catalysis of SnCl₄. 5H₂O adsorbed with activated C. The water produced in the synthesis reaction was carried off by benzene. The esterification rate for di-Bu malonate was 96.8%. In the experiment, the researchers used many compounds, for example, malonic acid dibutyl ester (cas: 1190-39-2Quality Control of malonic acid dibutyl ester).

malonic acid dibutyl ester (cas: 1190-39-2) belongs to esters. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Liquid esters of low volatility serve as softening agents for resins and plastics. Esters also include many industrially important polymers. Polymethyl methacrylate is a glass substitute sold under the names Lucite and Plexiglas; polyethylene terephthalate is used as a film (Mylar) and as textile fibres sold as Terylene, Fortrel, and Dacron.Quality Control of malonic acid dibutyl ester

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

Rh(III)-Catalyzed Domino [4 + 2] Annulation/Aza-Michael Addition of N-(Pivaloyloxy)benzamides with 1,5-Enynes via C-H Activation: Synthesis of Functionalized Aromathecins was written by Raji Reddy, Chada;Mallesh, Kathe;Bodasu, Srinivas;Donthiri, Ramachandra Reddy. And the article was included in Journal of Organic Chemistry in 2020.Category: esters-buliding-blocks This article mentions the following:

Reported herein is the Rh(III)-catalyzed cascade annulation reaction of N-(pivaloyloxy)benzamides with 1,5-enynes to access diversely substituted aromathecin derivatives, e.g., I (R = H, Br, Cl, NO₂, Me, OMe), involving C-H activation. The developed procedure offers an efficient synthetic tool for the reaction of a wide range of N-(pivaloyloxy)benzamides and 1,5-enynes with good atom-economy and functional group tolerance. The key reactions involved in this annulation are alkyne insertion and aza-Michael addition under oxidant-free mild reaction conditions. In the experiment, the researchers used many compounds, for example, Diethyl 2-(prop-2-yn-1-yl)malonate (cas: 17920-23-9Category: esters-buliding-blocks).

Diethyl 2-(prop-2-yn-1-yl)malonate (cas: 17920-23-9) belongs to esters. Volatile esters with characteristic odours are used in synthetic flavours, perfumes, and cosmetics. Certain volatile esters are used as solvents for lacquers, paints, and varnishes. Liquid esters of low volatility serve as softening agents for resins and plastics. Esters also include many industrially important polymers. Polymethyl methacrylate is a glass substitute sold under the names Lucite and Plexiglas; polyethylene terephthalate is used as a film (Mylar) and as textile fibres sold as Terylene, Fortrel, and Dacron.Category: esters-buliding-blocks

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

Effect of sea-buckthorn pulp and flaxseed residues on quality and shelf life of bread was written by Guo, Xin;Shi, Longkai;Yang, Shuai;Yang, Roujia;Dai, Xinyue;Zhang, Tao;Liu, Ruijie;Chang, Ming;Jin, Qingzhe;Wang, Xingguo. And the article was included in Food & Function in 2019.SDS of cas: 659-70-1 This article mentions the following:

The use of natural products as food supplements has received increasing attention in recent years. Sea-buckthorn pulp and flaxseed residues are rich in phenolic fractions and aroma substances, thereby offering high antioxidant and antimicrobial activity. However, large quantities of these residues usually remain unused. Therefore, this study confirmed the chem. composition and antioxidant and antimicrobial capacity of these materials, and evaluated their effect on the quality, characteristics and shelf life of bread. Both residues were rich in crude fiber, while sea-buckthorn had a much higher content of polyphenols compared with flaxseed. The addition of these two residues changed the characteristics and nutritional value of the bread, including the sp. volume, color, texture, and antioxidant capacity. Supplementation with these two residues also gave the breads new aromas. The shelf life of the breads was increased by different levels of addition compared with the control group. For sensory evaluation, bread with a suitable content of residues was favored by consumers. In the experiment, the researchers used many compounds, for example, Isopentyl 3-methylbutanoate (cas: 659-70-1SDS of cas: 659-70-1).

Isopentyl 3-methylbutanoate (cas: 659-70-1) belongs to esters. Volatile esters with characteristic odours are used in synthetic flavours, perfumes, and cosmetics. Certain volatile esters are used as solvents for lacquers, paints, and varnishes. Acyl chlorides and acid anhydrides alcoholysis is another way to produce esters. Acyl chlorides and acid anhydrides react with alcohols to produce esters. Anydrous conditions are recommended since both acyl chlorides and acid anhydrides react with water.SDS of cas: 659-70-1

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

Synthesis of stable analogs in blood and conformational analysis of arenastatin A, a potent cytotoxic spongean depsipeptide was written by Murakami, N.;Tamura, S.;Wang, W.;Takagi, T.;Kobayashi, M.. And the article was included in Tetrahedron in 2001.Computed Properties of C11H14O3 This article mentions the following:

In order to produce analogs of arenastatin A, I (X = Y = O; a potent cytotoxic depsipeptide from the marine sponge Dysidea arenaria) that are stable in blood, the authors synthesized four compounds with modified 15-20 ester linkage. Amongst them, the carba analog I (X = CH₂, Y = O) and the 20-deoxo analog I (X = O, Y = H₂) showed stability in serum. The thio analog I (X = S, Y = O) showed potent cytotoxicity against KB cells (IC₅₀ = 0.9 ng/mL). The 15-dimethyl analog II was somewhat more stable than arenastatin A itself, but its potency was reduced against KB cells (IC₅₀ = 200ng/mL). The conformation of arenastatin A and its analogs were analyzed by distance-restrained mol. dynamic calculation to reveal a three-dimensional stereostructure contributing to the extremely potent cytotoxicity of arenastatin A. In the experiment, the researchers used many compounds, for example, Benzyl 2-hydroxy-2-methylpropanoate (cas: 19444-23-6Computed Properties of C11H14O3).

Benzyl 2-hydroxy-2-methylpropanoate (cas: 19444-23-6) belongs to esters. Volatile esters with characteristic odours are used in synthetic flavours, perfumes, and cosmetics. Certain volatile esters are used as solvents for lacquers, paints, and varnishes. Esters are more polar than ethers but less polar than alcohols. They participate in hydrogen bonds as hydrogen-bond acceptors, but cannot act as hydrogen-bond donors, unlike their parent alcohols. This ability to participate in hydrogen bonding confers some water-solubility.Computed Properties of C11H14O3

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

Chemoenzymatic synthesis of (S)-duloxetine using carbonyl reductase from Rhodosporidium toruloides was written by Chen, Xiang;Liu, Zhi-Qiang;Lin, Chao-Ping;Zheng, Yu-Guo. And the article was included in Bioorganic Chemistry in 2016.Safety of Ethyl 3-oxo-3-(thiophen-2-yl)propanoate This article mentions the following:

A chemoenzymic strategy was developed for (S)-duloxetine production employing carbonyl reductases from newly isolated Rhodosporidium toruloides into the enantio-determining step. Amongst the ten most permissive enzymes identified, cloned, and overexpressed in Escherichia coli, RtSCR9 exhibited excellent activity and enantioselectivity. Using co-expressed E. coli harboring both RtSCR9 and glucose dehydrogenase, (S)-3-(dimethylamino)-1-(2-thienyl)-1-propanol 3a was fabricated with so far the highest substrate loading (1000 mM) in a space-time yield per g of biomass (DCW) of 22.9 mmol L^-1 h^-1 g DCW^-1 at a 200-g scale. The subsequent synthetic steps from RtSCR9-catalyzed (S)-3a were further performed, affording (S)-duloxetine with 60.2% overall yield from 2-acethylthiophene in >98.5% ee. In the experiment, the researchers used many compounds, for example, Ethyl 3-oxo-3-(thiophen-2-yl)propanoate (cas: 13669-10-8Safety of Ethyl 3-oxo-3-(thiophen-2-yl)propanoate).

Ethyl 3-oxo-3-(thiophen-2-yl)propanoate (cas: 13669-10-8) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits, including apples, durians, pears, bananas, pineapples, and strawberries. Acyl chlorides and acid anhydrides alcoholysis is another way to produce esters. Acyl chlorides and acid anhydrides react with alcohols to produce esters. Anydrous conditions are recommended since both acyl chlorides and acid anhydrides react with water.Safety of Ethyl 3-oxo-3-(thiophen-2-yl)propanoate

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