Category: esters-buliding-blocks

Compounds with antineoplastic activity. LXXXII. 5,5-Disubstituted barbituric acids and their analogs was written by Kotva, Rudolf;Krepelka, Jiri;Semonsky, Miroslav. And the article was included in Collection of Czechoslovak Chemical Communications in 1983.Recommanded Product: 17920-23-9 This article mentions the following:

Barbituric acid derivatives I [R = Me, Et, Pr, Bu, Ph, CH₂:CHCH₂, R¹ = (CH₂)₄CO₂H; R = Et, Bu, R¹ = (CH₂)₄CONHCH₂CO₂Et], II (R = Me, Pr), and III [R = CH₂:CHCH₂, (CH₂)₄CO₂H, R¹ = (CH₂)₄CO₂H; R = HCCCH₂, (CH₂)₄CO₂Et] were prepared by cyclocondensation of (EtO₂C)₂CR(CH₂)₄CO₂Et with urea, thiourea, and guanidine. Compound III [R = CH₂:CHCH₂, R¹ = (CH₂)₄CO₂H] enhanced the action of 5-fluorouracil on leukemia in mice by 22% at a dose at 200 mg/kg. In the experiment, the researchers used many compounds, for example, Diethyl 2-(prop-2-yn-1-yl)malonate (cas: 17920-23-9Recommanded Product: 17920-23-9).

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, 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.Recommanded Product: 17920-23-9

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

Dynamic kinetic asymmetric transformation (DYKAT) by combined amine- and transition-metal-catalyzed enantioselective cycloisomerization was written by Zhao, Gui-Ling;Ullah, Farman;Deiana, Luca;Lin, Shuangzheng;Zhang, Qiong;Sun, Junliang;Ibrahem, Ismail;Dziedzic, Pawel;Cordova, Armando. And the article was included in Chemistry – A European Journal in 2010.Computed Properties of C10H14O4 This article mentions the following:

The first examples of one-pot highly chemo- and enantioselective dynamic kinetic asym. transformations (DYKATs) involving α,β-unsaturated aldehydes and propargylated carbon acids are presented. These DYKATs, which proceed by a combination of catalytic iminium activation, enamine activation, and Pd⁰-catalyzed enyne cycloisomerization, give access to functionalized cyclopentenes e. g., I with up to 99 % ee and can be used for the generation of all-carbon quaternary stereocenters. In the experiment, the researchers used many compounds, for example, Diethyl 2-(prop-2-yn-1-yl)malonate (cas: 17920-23-9Computed Properties of C10H14O4).

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, 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.Computed Properties of C10H14O4

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

Identification of key aromas of Chinese muskmelon and study of their formation mechanisms was written by Xiao, Zuobing;Xie, Yongheng;Niu, Yunwei;Zhu, Jiancai. And the article was included in European Food Research and Technology in 2021.Safety of Methyl2-methylbutyrate This article mentions the following:

The volatile compounds found in melons (Cucumis melo L.) obtained from three cultivars [Jiashi (JS), Xizhoumi17 (XZM) and Minqin (MQ)] were comprehensively analyzed by gas chromatog.-olfactometry (GC-O), gas chromatog.-mass spectrometry (GC-MS), and GC-flame photometric detection (GC-FPD). The result showed that 46, 45 and 69 volatile compounds were detected in XZM, JS and MQ samples by GC-MS, resp. Besides, 6, 8 and 9 sulfur compounds were detected by GC-FPD, resp. Di-Me sulfide, 1-propanethiol, 3-mercapto-3methylbutanol, 3-methyl-2-buten-1-thiol were detected for the first time in melon. 25 key aroma compounds were identified in MQ muskmelon by omission tests, among which (Z)-6-nonenal, (Z)-6-nonen-1-ol, 3-methylbutanal, 2-methylbutyl acetate, hexanal and Me thioacetate were particularly important. The interaction between three aroma compounds containing nine-carbon straight-chain structure and five thioesters in MQ muskmelon was studied by comparing their olfactory threshold and OAV values. Among the 18 binary mixtures, 8 mixtures showed a synergistic effect, 2 mixtures presented an additive effect, 2 mixtures showed no interaction, 6 mixtures exhibited a masking effect. There is a synergistic effect between (Z)-6-nonenal, (Z)-6-nonen-1-ol and (E, Z)-3,6-nonadien-1-ol, the aroma intensity of the mixture can be predicted by modified vector model. In the experiment, the researchers used many compounds, for example, Methyl2-methylbutyrate (cas: 868-57-5Safety of Methyl2-methylbutyrate).

Methyl2-methylbutyrate (cas: 868-57-5) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. 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.Safety of Methyl2-methylbutyrate

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

Effect of Spanish-style processing steps and inoculation with Lactobacillus pentosus starter culture on the volatile composition of cv. Manzanilla green olives was written by de Castro, Antonio;Sanchez, Antonio Higinio;Cortes-Delgado, Amparo;Lopez-Lopez, Antonio;Montano, Alfredo. And the article was included in Food Chemistry in 2019.Recommanded Product: 868-57-5 This article mentions the following:

The effects of the main steps of Spanish-style processing (alk. treatment and fermentation) on the volatile composition of cv. Manzanilla green olives were studied. Both spontaneous and controlled fermentations were considered. In the latter case, a Lactobacillus pentosus strain from green olive fermentation brine was used as starter culture. The volatile profile was determined by headspace solid-phase microextraction (HS-SPME) combined with gas chromatog.-mass spectrometry (GC-MS). Most of the volatile compounds detected in fresh olives decreased or were undetected after alk. treatment, while several compounds (mostly acetic acid, 2-methylbutanoic acid, and ethanol) were formed as a result of this treatment. Over 50 new volatile components, mostly esters and phenols, appeared as a result of fermentation The most outstanding finding was a considerable increase in 4-Et phenol (almost 100-fold increase) in inoculated olives compared to the uninoculated product. However, a sensory panel did not find significant differences in odor perception. In the experiment, the researchers used many compounds, for example, Methyl2-methylbutyrate (cas: 868-57-5Recommanded Product: 868-57-5).

Methyl2-methylbutyrate (cas: 868-57-5) 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. Many esters have the potential for conformational isomerism, but they tend to adopt an s-cis (or Z) conformation rather than the s-trans (or E) alternative, due to a combination of hyperconjugation and dipole minimization effects. The preference for the Z conformation is influenced by the nature of the substituents and solvent, if present. Lactones with small rings are restricted to the s-trans (i.e. E) conformation due to their cyclic structure.Recommanded Product: 868-57-5

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

Long-chain functionally substituted aromatic Schiff bases derived from cetylamine was written by Dikusar, E. A.;Potkin, V. I.;Kozlov, N. G.. And the article was included in Russian Journal of Organic Chemistry in 2009.Electric Literature of C12H14O4 This article mentions the following:

A series of long-chain functionally substituted aromatic Schiff bases I containing alkoxy and acyloxy groups, as well as carborane fragments, was synthesized by condensation of the corresponding benzaldehydes of the vanillin series with cetylamine. In the experiment, the researchers used many compounds, for example, 4-Formyl-2-methoxyphenyl isobutyrate (cas: 20665-85-4Electric Literature of C12H14O4).

4-Formyl-2-methoxyphenyl isobutyrate (cas: 20665-85-4) 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. 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.Electric Literature of C12H14O4

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

A convergent synthesis of novel conformationally restricted HIV-1 protease inhibitors was written by Kim, B. Moon;Guare, James P.;Hanifin, Colleen M.;Arford-Bickerstaff, Deborah J.;Vacca, Joseph P.;Ball, Richard G.. And the article was included in Tetrahedron Letters in 1994.Recommanded Product: 87694-53-9 This article mentions the following:

Conformationally restricted HIV-1 protease inhibitors I (m = 1, n = 0; m = 0, n = 1), II, III, and IV, containing the transition state hydroxyl group in pyrrolidine or piperidine ring systems, were synthesized stereoselectivity utilizing the inherent stereochem. of an amino acid derivative A convergent double reductive amination strategy was used to construct the heterocyclic rings. In the experiment, the researchers used many compounds, for example, (S)-tert-Butyl (1-(methoxy(methyl)amino)-1-oxo-3-phenylpropan-2-yl)carbamate (cas: 87694-53-9Recommanded Product: 87694-53-9).

(S)-tert-Butyl (1-(methoxy(methyl)amino)-1-oxo-3-phenylpropan-2-yl)carbamate (cas: 87694-53-9) 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. 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.Recommanded Product: 87694-53-9

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

Solvothermal Alcoholysis Method for Recycling High-Consistency Silicone Rubber Waste was written by Petrus, Rafal;Utko, Jozef;Gnilka, Radoslaw;Fleszar, Mariusz G.;Lis, Tadeusz;Sobota, Piotr. And the article was included in Macromolecules (Washington, DC, United States) in 2021.Synthetic Route of C9H10O3 This article mentions the following:

In this work, we investigated the potential use of high-consistency silicone rubber (SR), which is a synthetic solid material used in numerous industrial applications, to produce a range of liquid alkoxysiloxane derivatives R(OSiMe₂)_xOR, with x = 1 (P₁), 2 (P₂), 3 (P₃), and 4 (P₄). We describe a simple and convenient solvothermal alcoholysis method for the chem. recycling of post-consumer SR in the presence of fatty alcs. under catalyst-free or catalytic conditions. This process proceeds easily both without and with a catalyst. Alkali-metal aryloxides supported by a methylsalicylato ligand (MesalO) gave the highest conversions of SR to products P₁-P₄. Magnesium and zinc aryloxides enabled efficient conversions of products P₂-P₄ to P₁. Binary metal catalysts of general formula [M₂M’₂(MesalO)₆] (M = Mg or Zn; M’ = Li, Na, or K), which had a combination of the catalytic properties shown by alkali-metal aryloxides and magnesium/zinc aryloxides, were produced and used to synthesize P₁-P₄. The results show that magnesium-sodium/potassium aryloxides had the best catalytic activities. Their use led to the formation of two dominant products, namely, P₁ and P₂, with conversion yields of 79 and 17%, resp. Particular emphasis is placed on the operating conditions and high activity of the catalyst used. Key factors that affect the catalytic activity and reaction mechanism are also highlighted. In the experiment, the researchers used many compounds, for example, Ethyl 2-hydroxybenzoate (cas: 118-61-6Synthetic Route of C9H10O3).

Ethyl 2-hydroxybenzoate (cas: 118-61-6) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. Many esters have the potential for conformational isomerism, but they tend to adopt an s-cis (or Z) conformation rather than the s-trans (or E) alternative, due to a combination of hyperconjugation and dipole minimization effects. The preference for the Z conformation is influenced by the nature of the substituents and solvent, if present. Lactones with small rings are restricted to the s-trans (i.e. E) conformation due to their cyclic structure.Synthetic Route of C9H10O3

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

Design, Synthesis, and Structure-Activity Relationship Studies of 3,4,6-Triphenylpyran-2-ones as Selective Cyclooxygenase-2 Inhibitors was written by Rao, P. N. Praveen;Uddin, Jashim Md.;Knaus, Edward E.. And the article was included in Journal of Medicinal Chemistry in 2004.COA of Formula: C10H11FO2 This article mentions the following:

A group of regioisomeric 3,4,6-triphenylpyran-2-ones with a MeSO₂ pharmacophore at the para-position of either a C-3 Ph or a C-4 Ph substituent on the central six-membered pyran-2-one ring were prepared and evaluated in vitro for their abilities to inhibit the isoenzymes COX-1 and COX-2. Structure-activity relationship (SAR) data, acquired by substituent modification at the para-position of the C-6 Ph ring attached to the central pyranone, showed that 6-(4-methoxyphenyl)-3-(4-methanesulfonylphenyl)-4-phenylpyran-2-one (I)was the most potent and selective COX-2 inhibitor (COX-2 IC₅₀ = 0.02 μM; COX-1 IC₅₀ > 100 μM) with a high COX-2 selectivity index (SI > 5000) relative to the reference drugs celecoxib and rofecoxib. I was a more potent oral antiinflammatory agent (ID₅₀ = 5.6 mg/kg) than celecoxib in a carrageenan-induced rat paw edema assay. In a 4% NaCl-induced abdominal constriction assay, a 5 mg/kg oral dose of I exhibited good analgesic activity at different time intervals producing 37.5 and 69% inhibition of writhing at 30 and 60 min, resp. In contrast, the corresponding 6-(4-methoxyphenyl)-4-(4-methanesulfonylphenyl)-3-phenylpyran-2-one regioisomer was a less potent and selective COX-2 inhibitor (COX-2 IC₅₀ = 0.45 μM; SI = 70). A mol. modeling study for I indicated that the p-OMe substituent on the C-6 Ph ring interacts with the COX-2 binding site amino acids Ile³⁴⁵, Val³⁴⁹, Leu³⁵⁹, Leu⁵³¹, and Met⁵³⁵ and that the OMe substituent may be responsible for proper orientation of the C-3 p-SO₂Me-Ph ring within the COX-2 secondary pocket (Gln¹⁹², Arg⁵¹³, and Phe⁵¹⁸). These results show that the COX-2 selectivity and potency of 3,4,6-triphenylpyranone regioisomers can be modulated by appropriate placement of the p-SO₂Me pharmacophore on either the C-3 or C-4 Ph moiety. In addition, electronic properties at the para-position of a C-6 Ph substituent on the central pyranone ring govern COX-2 inhibitory potency and selectivity by controlling the orientation of the p-SO₂Me pharmacophore within the COX-2 secondary pocket. In the experiment, the researchers used many compounds, for example, Ethyl 2-(4-fluorophenyl)acetate (cas: 587-88-2COA of Formula: C10H11FO2).

Ethyl 2-(4-fluorophenyl)acetate (cas: 587-88-2) 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. Many esters have the potential for conformational isomerism, but they tend to adopt an s-cis (or Z) conformation rather than the s-trans (or E) alternative, due to a combination of hyperconjugation and dipole minimization effects. The preference for the Z conformation is influenced by the nature of the substituents and solvent, if present. Lactones with small rings are restricted to the s-trans (i.e. E) conformation due to their cyclic structure.COA of Formula: C10H11FO2

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

A thiourea-functionalized metal-organic macrocycle for the catalysis of Michael additions and prominent size-selective effect was written by Yang, Lu;Zhao, Liang;Zhou, Zhen;He, Cheng;Sun, Hui;Duan, Chunying. And the article was included in Dalton Transactions in 2017.Reference of 1190-39-2 This article mentions the following:

A discrete tetranuclear thiourea-based metal-organic macrocycle (MOM) with a large size was constructed by a well-designed organic ligands 1-(2-pyridylmethyleneamino)-3-[4-[4-[(2-pyridylmethyleneamino)carbamothioylamino]phenyl]sulfonylphenyl]thiourea (SPT) and 1-(2-pyridylmethyleneamino)-3-[3-[(2-pyridylmethyleneamino)carbamothioylamino]phenyl]thiourea (PDT) with nickel(II) ions via self-assembly. Incorporation of thiourea groups as hydrogen-bond donors into a metal-organic complex system led to a new approach for synthesis of functionalized heterogeneous catalysts, as this not only introduced coordination sites serving as chelators, but also overcomes the issues of self-association via intermol. H-bonding, often occurring in homogeneous systems. The packing structure of this material formed a confined environment suitable for the access of substrate mols. dragged by the strong hydrogen-bond interactions from the thiourea groups, thus achieving a high catalytic performance in Michael additions of β-nitrostyrenes to nitroalkanes I [R = C₆H₅, 4-ClC₆H₄, 4-MeC₆H₄, etc.], with remarkable yields and size-selectivity in heterogeneous phase. Moreover, a comparison of the IR spectrum of Ni-SPT with the spectra of di-Me malonate- and β-nitrostyrene-impregnated Ni-SPT indicated that both substrate mols., β-nitrostyrene and di-Me malonate, were able to access the cavity of the trimeric subunit. In the experiment, the researchers used many compounds, for example, malonic acid dibutyl ester (cas: 1190-39-2Reference of 1190-39-2).

malonic acid dibutyl ester (cas: 1190-39-2) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. 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. Reference of 1190-39-2

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

Synthesis and properties of an optically active helical bis-cobaltocenium ion was written by Gilbert, Adam M.;Katz, Thomas J.;Geiger, William E.;Robben, Matthew P.;Rheingold, Arnold L.. And the article was included in Journal of the American Chemical Society in 1993.Category: esters-buliding-blocks This article mentions the following:

The optically active helical bis-cobaltocenium salt I is synthesized, as are two related monocobaltocenium salts, 29 and 30. The structure of I is analyzed by x-ray diffraction, which shows that the metals are separated by 8.49 Å. Reducing I either electrochem. or with K(Hg) produces species that absorb near 920 nm, but the absorption is not an intervalence transition. It originates instead from isolated Co(II) centers. This is demonstrated by the reduction product of 29, which has only one cobalt, also absorbing at a similar wavelength (λ_max = 957 nm). The optical and ESR spectra imply that the unpaired electron in monoreduced I is largely localized on cobalt and that direduced I is essentially a Co(II)/Co(II) diradical. The difference between two Co(III)/Co(II) reduction potentials of I, 130 mV, is shown to be appropriate for a conjugated dimetallocene with metals so distant. In the experiment, the researchers used many compounds, for example, Ethyl 3-amino-4-methylbenzoate (cas: 41191-92-8Category: esters-buliding-blocks).

Ethyl 3-amino-4-methylbenzoate (cas: 41191-92-8) 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. 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.Category: esters-buliding-blocks

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