Tag: 100-200

Conjugated Macrocycles Related to the Porphyrins. 25.Proton NMR Spectroscopic Evidence for a Preferred [18]Annulene Substructure in Carbaporphyrins from the Magnitude of Selected ⁴J_H,H CH:C-CH₃ Coupling Constants was written by Liu, Dachun;Lash, Timothy D.. And the article was included in Journal of Organic Chemistry in 2003.Electric Literature of C8H11NO2 This article mentions the following:

Two new benzocarbaporphyrins with four or five alkyl substituents have been synthesized by the “3 + 1” MacDonald methodol. At lower temperatures, the proton NMR spectrum of the asym. substituted carbaporphyrin I gave two NH resonances, while carbaporphyrin II, which retains a plane of symmetry, gave only one resonance of this kind. As no addnl. peaks were seen for the remaining protons, these data strongly support the proposal that a single tautomer predominates in solution where the two NH protons flank the interior CH. Carbaporphyrin I, which has a CH:CMe unit on the pyrrolic ring opposite the indene moiety, gave a long-range coupling constant of ⁴J_Me,H = 1.3-1.4 Hz. On the other hand, the CH:CMe units of II, which correspond to the pyrrole rings on each side of the carbocyclic moiety, gave ⁴J_Me,H = 0.9-1.0 Hz. These values are in accord with those expected if the exterior carbon-carbon bonds of the pyrrole units next to the indene ring are part of a fully delocalized 18π electron system, while the C:C bond of the remaining pyrrole ring retains substantial olefinic character. In the experiment, the researchers used many compounds, for example, Ethyl 4-methyl-1H-pyrrole-3-carboxylate (cas: 2199-49-7Electric Literature of C8H11NO2).

Ethyl 4-methyl-1H-pyrrole-3-carboxylate (cas: 2199-49-7) belongs to esters. Esters are also usually derived from carboxylic acids. It may also be obtained by reaction of acid anhydride or acid halides with alcohols or by the reaction of salts of carboxylic acids with alkyl halides. 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.Electric Literature of C8H11NO2

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Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Rhodium-Catalyzed Silylcarbocyclization (SiCaC) and Carbonylative Silylcarbocyclization (CO-SiCaC) Reactions of Enynes was written by Ojima, Iwao;Vu, An T.;Lee, Seung-Yub;McCullagh, James V.;Moralee, Andrew C.;Fujiwara, Masaki;Hoang, Tram H.. And the article was included in Journal of the American Chemical Society in 2002.Application In Synthesis of Diethyl 2-(prop-2-yn-1-yl)malonate This article mentions the following:

The reaction of a 1,6-enyne with a hydrosilane catalyzed by Rh(acac)(CO)₂, Rh₄(CO)₁₂, or Rh₂Co₂(CO)₁₂ under ambient CO atm. or N₂ gives 2-methyl-1-silylmethylidene-2-cyclopentane or its heteroatom congener in excellent yield through Silylcarbocyclization (SiCaC) process. The same reaction, but in the presence of a phosphite such as P(OEt)₃ and P(OPh)₃ under 20 atm of CO, affords the corresponding 2-formylmethyl-1-silylmethylidene-2-cyclopentane or its heteroatom congener with excellent selectivity through carbonylative silylcarbocyclization (CO-SiCaC) process. The SiCaC reaction also was applied to a 1,6-enyne bearing a cyclohexenyl group as the alkene moiety and a 1,7-enyne system. The functionalized five- and six-membered ring systems obtained by these novel cyclization reactions serve as useful and versatile intermediates for the syntheses of natural and unnatural heterocyclic and carbocyclic compounds Possible mechanisms for the SiCaC and CO-SiCaC reactions as well as unique features of these processes are discussed. In the experiment, the researchers used many compounds, for example, Diethyl 2-(prop-2-yn-1-yl)malonate (cas: 17920-23-9Application In Synthesis of Diethyl 2-(prop-2-yn-1-yl)malonate).

Diethyl 2-(prop-2-yn-1-yl)malonate (cas: 17920-23-9) 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. 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. Application In Synthesis of Diethyl 2-(prop-2-yn-1-yl)malonate

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Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Coupling constants of pyrroles was written by Gronowitz, Salo;Hornfeldt, Anna Britta;Gestblom, Bo;Hoffman, Ragnar A.. And the article was included in Arkiv foer Kemi in 1961.HPLC of Formula: 2199-49-7 This article mentions the following:

Ring-coupling constants for mono-and disubstituted pyrroles are reported from their nuclear magnetic resonance spectra and a discussion of the mechanism of these couplings is given with 34 references. The ring-coupling constants obtained are J₃₄ = 3.40-3.80 cycles/sec., J₄₅ = 2.40-3.10 cycles/sec., J₂₅ = 1.95-2.20 cycles/sec., J₂₄ = 1.35-1.50 cycles/sec. J₁₃ and J₁₄ have similar magnitude to J₄₅, and J₁₂ and J₁₅ are greater. In 2-methyl-5-pyrrolecarboxaldehyde, J_CH3-3 = 0.65 cycles/sec. and J_CH3-4 = 0.45 cycles/sec., in 3-methyl-4-carbethoxypyrrole, J_CH3-2 = 1.0 cycles/sec., and in 2-pyrrolecarboxaldehyde, J_CHO-5 = 1.15 cycles/sec. The values for J₃₄ and J₄₅ differ considerably from those obtained by Abraham and Bernstein (CA 54, 11703e), since these latter authors report an average between these couplings and the NH couplings. In the experiment, the researchers used many compounds, for example, Ethyl 4-methyl-1H-pyrrole-3-carboxylate (cas: 2199-49-7HPLC of Formula: 2199-49-7).

Ethyl 4-methyl-1H-pyrrole-3-carboxylate (cas: 2199-49-7) 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.HPLC of Formula: 2199-49-7

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Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Characterization of key odor-active compounds in sweet Petit Manseng (Vitis vinifera L.) wine by gas chromatography-olfactometry, aroma reconstitution, and omission tests was written by Lan, Yibin;Guo, Jingxian;Qian, Xu;Zhu, Baoqing;Shi, Ying;Wu, Guangfeng;Duan, Changqing. And the article was included in Journal of Food Science in 2021.Name: 5-Hexyldihydrofuran-2(3H)-one This article mentions the following:

Petit Manseng (Vitis vinifera L.) has become a popular variety in China for the production of semisweet and sweet wines. However, few studies focused on investigating the mol. odor code of its key odorants. In this study, the key odor-active compounds of Chinese sweet Petit Manseng wine were identified by gas chromatog.-olfactometry (GC-O) and gas chromatog.-mass spectrometry (GC-MS). Fifty-five odorous zones were sniffed and identified by application of aroma extraction dilution anal. on a distillate prepared by liquid- liquid extraction and solvent-assisted flavor evaporation Among them, isoamyl alc., Et octanoate, isovaleric acid, (E)-β-damascenone, and phenylethanol particularly displayed with highest flavor dilution factors above 1024. The quantification of volatiles by headspace solid-phase microextraction coupled with GC-MS and GC coupled with triple quadrupole MS/MS and a calculation of odor activity values (OAVs) indicated 23 volatiles with OAVs above 1. Et hexanoate showed the highest OAV with 208.8, followed by (E)-β-damascenone (189.0), 3-mercaptohexanol (60.3), isoamyl acetate (45.4), and furaneol (40.1). The aroma of the sweet wine was successfully reconstituted by combining 42 aroma compounds in a model wine solution 3-Mercaptohexanol, (E)-β-damascenone, furaneol, γ-octalactone + γ-decalactone + γ-hexalactone, and Et cinnamate had important influence on the aroma of sweet Petit Manseng wine assessed by omission tests. Moreover, the discrimination of wines from three regions was successfully achieved by partial least squares discriminant anal. based on quant. results of key odorants. 3-Mercaptohexanol was considered as the most responsible for the region discrimination and had highest concentrations in Petit Manseng wines from Jiaodong Peninsula. Understanding of the knowledge in key odorants of Petit Manseng wines could be useful to improve wine quality through viticultural and enol. practices. In the experiment, the researchers used many compounds, for example, 5-Hexyldihydrofuran-2(3H)-one (cas: 706-14-9Name: 5-Hexyldihydrofuran-2(3H)-one).

5-Hexyldihydrofuran-2(3H)-one (cas: 706-14-9) 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. 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.Name: 5-Hexyldihydrofuran-2(3H)-one

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

D-glucose as a pentavalent chiral scaffold was written by Opatz, Till;Kallus, Christopher;Wunberg, Tobias;Schmidt, Wolfgang;Henke, Stefan;Kunz, Horst. And the article was included in European Journal of Organic Chemistry in 2003.Safety of 3-Cyanophenylisocyanate This article mentions the following:

A novel carbohydrate-based scaffold for combinatorial chem. has been developed. This scaffold allows the selective attachment of five different side chains, giving rise to products of enormous structural diversity. As a demonstration of its usefulness, a series of model compounds has been prepared in high purity and yield by multistep parallel synthesis on a solid phase. In the experiment, the researchers used many compounds, for example, 3-Cyanophenylisocyanate (cas: 16413-26-6Safety of 3-Cyanophenylisocyanate).

3-Cyanophenylisocyanate (cas: 16413-26-6) 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.Safety of 3-Cyanophenylisocyanate

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Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Lemongrass Essential Oil Components with Antimicrobial and Anticancer Activities was written by Mukarram, Mohammad;Choudhary, Sadaf;Khan, Mo Ahamad;Poltronieri, Palmiro;Khan, M. Masroor A.;Ali, Jamin;Kurjak, Daniel;Shahid, Mohd. And the article was included in Antioxidants in 2022.Related Products of 105-87-3 This article mentions the following:

The prominent cultivation of lemongrass (Cymbopogon spp.) relies on the pharmacol. incentives of its essential oil. Lemongrass essential oil (LEO) carries a significant amount of numerous bioactive compounds, such as citral (mixture of geranial and neral), isoneral, isogeranial, geraniol, geranyl acetate, citronellal, citronellol, germacrene-D, and elemol, in addition to other bioactive compounds These components confer various pharmacol. actions to LEO, including antifungal, antibacterial, antiviral, anticancer, and antioxidant properties. These LEO attributes are com. exploited in the pharmaceutical, cosmetics, and food preservations industries. Furthermore, the application of LEO in the treatment of cancer opens a new vista in the field of therapeutics. Although different LEO components have shown promising anticancer activities in vitro, their effects have not yet been assessed in the human system. Hence, further studies on the anticancer mechanisms conferred by LEO components are required. The present review intends to provide a timely discussion on the relevance of LEO in combating cancer and sustaining human healthcare, as well as in food industry applications. In the experiment, the researchers used many compounds, for example, (E)-3,7-Dimethylocta-2,6-dien-1-yl acetate (cas: 105-87-3Related Products of 105-87-3).

(E)-3,7-Dimethylocta-2,6-dien-1-yl acetate (cas: 105-87-3) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. 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.Related Products of 105-87-3

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

Characterization of key odor-active compounds in thermal reaction beef flavoring by SGCxGC-O-MS, AEDA, DHDA, OAV and quantitative measurements was written by Wang, Haili;Yang, Ping;Liu, Chen;Song, Huanlu;Pan, Wenqing;Gong, Lin. And the article was included in Journal of Food Composition and Analysis in 2022.Application of 695-06-7 This article mentions the following:

Thermal reaction beef flavoring is a kind of food additive. In this study, three extraction methods of dynamic headspace sampling (DHS), solid phase micro-extraction (SPME) and liquid-liquid extraction (LLE) combined with switchable two-dimensional gas chromatog.-olfactometry-mass spectrometry (SGCxGC-O-MS) were employed to characterize volatile compounds in thermal reaction beef flavoring. The odor characteristics of thermal reaction beef flavors were identified by sensory evaluation, aroma extraction dilution anal. (AEDA), dynamic headspace dilution anal. (DHDA), odor activity value (OAV) and quant. measurements. A total of 231 volatile odor compounds were identified by the three extraction methods, which including 15 aldehydes, 41 ketones, 29 alcs., 27 esters, 13 furans, 20 pyrazines, 9 sulfur-containing compounds, 18 thiophenes and thiazoles, 19 acids and 40 other compounds Ninety-eight compounds had odor activity, and 22 odor-active compounds were quant. analyzed. 2-Methyl-3-furanthiol (meaty) and bis(2-methyl-3-furanyl) disulfide (onion) had the higher FD and OAV, 3-methylbutanal (chocolate) was first identified as the key odor-active compound in thermal reaction beef flavoring, Me furfuryl disulfide (meaty), 2-ethyl-3,5-dimethylpyrazine (roasted nuts), 2,3-butanedione (caramel), linalool (floral), furfural (baked bread), 2-furfurylthiol (sulfury) and other compounds were also identified as the key aroma components in thermal reaction beef flavoring. The results showed that SPME and DHS were more suitable than LLE for the separation and extraction of volatile odor compounds in thermal reaction beef flavoring, and there were some masking and synergistic effects between odor-active compounds In the experiment, the researchers used many compounds, for example, 5-Ethyldihydrofuran-2(3H)-one (cas: 695-06-7Application of 695-06-7).

5-Ethyldihydrofuran-2(3H)-one (cas: 695-06-7) 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. 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. Application of 695-06-7

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

Effects of brown sugar addition and fermentation time on metabolites and microbial communities of Yibin Yacai was written by Zou, Yuke;Zhong, Yixin;Huang, Lihui;Xu, Wei;Wu, Yanping;Gao, Jia;Zhong, Kai;Gao, Hong. And the article was included in LWT–Food Science and Technology in 2022.Computed Properties of C10H18O2 This article mentions the following:

Yibin Yacai is one of the most popular pickled vegetables in Sichuan made from special local stem mustard via spontaneous fermentation The final quality of the Yibin Yacai product depends on every manufacturing process that affects the microbial communities during fermentation In this study, the effects of brown sugar addition and fermentation time on physicochem. quality, flavor, and microbial communities of Yibin Yacai under five different fermentation conditions were investigated. The brown sugar addition can effectively increase the activities of microorganisms such as Lactobacillus and Debaryomyces, resulting in an increase in lactic acid content, sweet amino acids and umami amino acids. Furthermore, fermentation time plays a critical role in determining their physicochem. quality and flavor. The Yibin Yacai samples fermented for 5 years present the highest content of reducing sugar, amino acid nitrogen, esters, aldehydes, and olefins, while having the lowest salinity. These results indicate that the brown sugar addition and fermentation time could significantly influence the physicochem. and flavor qualities of the Yibin Yacai by tuning microbial communities during fermentation These findings reveal the importance of controlling manufacturing processes for traditionally fermented Yibin Yacai and provide a new perspective on the technol. innovation of fermented Yibin Yacai. In the experiment, the researchers used many compounds, for example, 5-Hexyldihydrofuran-2(3H)-one (cas: 706-14-9Computed Properties of C10H18O2).

5-Hexyldihydrofuran-2(3H)-one (cas: 706-14-9) 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. Cyclic esters are called lactones, regardless of whether they are derived from an organic or inorganic acid. One example of an organic lactone is γ-valerolactone.Computed Properties of C10H18O2

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

Thienopyridine urea inhibitors of KDR kinase was written by Heyman, H. Robin;Frey, Robin R.;Bousquet, Peter F.;Cunha, George A.;Moskey, Maria D.;Ahmed, Asma A.;Soni, Niru B.;Marcotte, Patrick A.;Pease, Lori J.;Glaser, Keith B.;Yates, Melinda;Bouska, Jennifer J.;Albert, Daniel H.;Black-Schaefer, Candace L.;Dandliker, Peter J.;Stewart, Kent D.;Rafferty, Paul;Davidsen, Steven K.;Michaelides, Michael R.;Curtin, Michael L.. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2007.Application of 16413-26-6 This article mentions the following:

A series of substituted thienopyridine ureas was prepared and evaluated for enzymic and cellular inhibition of KDR kinase activity. Several of these analogs, such as I, are potent inhibitors of KDR (<10 nM) in both enzymic and cellular assays. Further characterization of inhibitor I indicated that this analog possessed excellent in vivo potency (ED₅₀ 2.1 mg/kg) as measured in an estradiol-induced mouse uterine edema model. In the experiment, the researchers used many compounds, for example, 3-Cyanophenylisocyanate (cas: 16413-26-6Application of 16413-26-6).

3-Cyanophenylisocyanate (cas: 16413-26-6) 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. 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.Application of 16413-26-6

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

Coinage Metals-Catalyzed Cascade Reactions of Aryl Alkynylaziridines: Silver(I)-Single vs Gold(I)-Double Cyclizations was written by Kern, Nicolas;Blanc, Aurelien;Miaskiewicz, Solene;Robinette, Michelle;Weibel, Jean-Marc;Pale, Patrick. And the article was included in Journal of Organic Chemistry in 2012.Product Details of 17920-23-9 This article mentions the following:

Alkynylaziridines carrying an aryl group could be efficiently converted into aminoallenylidene isochromans, isoquinolines, or tetrahydronaphtalenes with silver(I) salts and into 1-azaspiro[4.5]decane derivatives with gold(I) complexes. Mechanistic investigations revealed that both Ag- and Au-catalyzed reactions involved a Friedel-Crafts type intramol. reaction leading to an allene and that Au also rapidly promoted a second intramol. cyclization of the aminoallene intermediate to the corresponding spiro derivative Stereochem. investigations suggested an anti-SN₂‘-type pathway for the first cyclization leading to a stereodefined allene, which could then be cyclized to the corresponding stereodefined spiro product. These results highlight the duality between oxo- or azaphilicity and alkynophilicity of Ag and Au as well as their complementarity in terms of reactivity. In the experiment, the researchers used many compounds, for example, Diethyl 2-(prop-2-yn-1-yl)malonate (cas: 17920-23-9Product Details of 17920-23-9).

Diethyl 2-(prop-2-yn-1-yl)malonate (cas: 17920-23-9) 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. Cyclic esters are called lactones, regardless of whether they are derived from an organic or inorganic acid. One example of an organic lactone is γ-valerolactone.Product Details of 17920-23-9

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