Tag: 100-200

Nitration-Peroxidation of Alkenes: A Selective Approach to β-Peroxyl Nitroalkanes was written by Chen, Yuanjin;Ma, Yangyang;Li, Liangkui;Jiang, Hao;Li, Zhiping. And the article was included in Organic Letters in 2019.Reference of 118-61-6 This article mentions the following:

Nitration-peroxidation of alkenes for the synthesis of β-peroxyl nitroalkanes has been developed by using tert-Bu nitrite and tert-Bu hydroperoxide. The method presents a new and selective difunctionalization of alkenes to introduce a nitro group and a peroxyl group across the double bonds of alkenes under mild conditions. A radical reaction pathway is proposed by exptl. and theor. studies. Of note, mixing a metal salt and peroxide can cause an explosion. In the experiment, the researchers used many compounds, for example, Ethyl 2-hydroxybenzoate (cas: 118-61-6Reference of 118-61-6).

Ethyl 2-hydroxybenzoate (cas: 118-61-6) 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 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.Reference of 118-61-6

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

Structure-activity relationships for the mutagenic activity of tricyclic intercalating agents in Salmonella typhimurium was written by Denny, William A.;Turner, Pamela M.;Atwell, Graham J.;Rewcastle, Gordon W.;Ferguson, Lynnette R.. And the article was included in Mutation Research, Fundamental and Molecular Mechanisms of Mutagenesis in 1990.Recommanded Product: Methyl 2-aminonicotinate This article mentions the following:

A total of 25 different tricyclic DNA-intercalating chromophores bearing a common -CONH(CH₂)₂NMe₂ solubilizing side-chain were compared with the classical frameshift mutagen 9-aminoacridine for their ability to induce revertants in S. typhimurium strain TA1537 (sensitive to frameshift mutation by acridine mutagens). The compounds showed varying levels of activity in this strain. For the fused linear and fused angular tricyclics, activity varied from zero to similar levels to 9-aminoacridine, but with no discernable relationship between activity and either structure or the measured physico-chem. properties. However, the 2-1 tricyclic compounds had essentially no mutagenic activity. Since several of these compounds have high in vivo antitumor activity, this is useful knowledge. In the experiment, the researchers used many compounds, for example, Methyl 2-aminonicotinate (cas: 14667-47-1Recommanded Product: Methyl 2-aminonicotinate).

Methyl 2-aminonicotinate (cas: 14667-47-1) 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.Recommanded Product: Methyl 2-aminonicotinate

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

A supramolecular system for quantifying aromatic stacking interactions was written by Adams, Harry;Hunter, Christopher A.;Lawson, Kevin R.;Perkins, Julie;Spey, Sharon E.;Urch, Christopher J.;Sanderson, John M.. And the article was included in Chemistry – A European Journal in 2001.Computed Properties of C7H8N2O4 This article mentions the following:

A supramol. complex for investigating the thermodn. properties of intermol. aromatic stacking interactions has been developed. The conformation of the complex is locked in a single well-defined conformation by an array of H-bonding interactions that force two aromatic rings on one end of the complex into a stacked geometry. Chem. double-mutant cycles have been used to measure an anthracene-aniline interaction (+0.6±0.8 kJmol^-1) and a pentafluorophenyl-aniline interaction (-0.4±0.9 kJmol^-1) in this system. Although the interactions are very weak, the pentafluorophenyl interaction is attractive, whereas the anthracene interaction is repulsive: this is consistent with the dominance of π-electron electrostatic interactions. The nitropyrrole subunits used to control the conformation of these complexes lead to problems of aggregation and multiple conformational equilibrium The implications for the thermodn. anal. are examined in detail, and the double-mutant-cycle approach is found to be remarkably robust with respect to such effects, since systematic errors in individual experiments are removed in a pair-wise fashion when the cycle is constructed. In the experiment, the researchers used many compounds, for example, Ethyl 4-nitro-1H-pyrrole-2-carboxylate (cas: 5930-92-7Computed Properties of C7H8N2O4).

Ethyl 4-nitro-1H-pyrrole-2-carboxylate (cas: 5930-92-7) 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. 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.Computed Properties of C7H8N2O4

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

New Potential Anticancer Agents Based on the Anthranilic Acid Scaffold. Synthesis and Evaluation of Biological Activity was written by Congiu, Cenzo;Cocco, Maria Teresa;Lilliu, Valentina;Onnis, Valentina. And the article was included in Journal of Medicinal Chemistry in 2005.COA of Formula: C7H8N2O2 This article mentions the following:

The synthesis and anticancer activity of new compounds I (X = Y = CH, N; X = CH, Y = N; R = 2-MeOC₆H₄, 3-ClC₆H₄, 2,4,6-Cl₃C₆H₂, 3-pyridyl, etc.), designed on the anthranilic acid scaffold, are reported. The antiproliferative activity was assayed by the National Cancer Institute in established in vitro and in vivo anticancer exptl. models. Structural variations based on the flufenamic acid motif afforded a series of (hetero)aryl esters of N-(2-(trifluoromethyl)pyridin-4-yl)anthranilic acid, which showed in vitro growth inhibitory properties against human tumor cell lines in nanomolar to low micromolar concentrations The pyridinyl ester I [X = CH; Y = N; R = 3-pyridyl; (II)] exhibited very potent in vitro antiproliferative efficacy, with a chemosensitive profile showing a number of GI₅₀ values at concentrations lower than 10^-7 M in the full panel of human tumor cell lines. II was also tested in vivo as a potential anticancer agent in the hollow fiber assay and in human tumor xenografts, showing moderate inhibitory properties. Anal. of biol. activities and the COMPARE procedure was utilized to support putative biochem. mechanisms implicated with the antiproliferative activity. In the experiment, the researchers used many compounds, for example, Methyl 2-aminonicotinate (cas: 14667-47-1COA of Formula: C7H8N2O2).

Methyl 2-aminonicotinate (cas: 14667-47-1) 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. 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.COA of Formula: C7H8N2O2

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

Effect of aging pit on volatile compounds and sensory attributes of traditional Italian Fossa cheese was written by De Santis, Diana;Fidaleo, Marcello. And the article was included in LWT–Food Science and Technology in 2022.Electric Literature of C10H18O2 This article mentions the following:

This work evaluated how the gross chem. composition and color, the sensory characteristics, and the aromatic properties (evaluated through HS-SPME-GC), of Fossa cheese, a typical local Italian product aged in specially designed underground pits, are affected by the pit used for ripening. Four pits of different depth from 2.5 to 3.4 m were filled with sacs of cheese stacked on top of each other and used for the 90-day aging. Cheese samples taken from various positions inside each pit were collected and analyzed. Results showed statistically significant differences among the cheeses aged in the different sized pits for most of the studied characteristics. The multivariate anal. of the data revealed that many cheese properties, including the overall liking, were correlated with each other and with the pit depth. By inducing different levels of whey and fat loss into the pit (presence of liquid inside the pits after the completion of the aging process), varying pressures due to the differing depths of the pits could be responsible for the different modifications of the cheese (gross composition and shape) and the pit environment (humidity) influencing directly and indirectly, by controlling microflora development, cheese sensorial properties and volatile organic compounds (VOCs) production In the experiment, the researchers used many compounds, for example, 5-Hexyldihydrofuran-2(3H)-one (cas: 706-14-9Electric Literature of C10H18O2).

5-Hexyldihydrofuran-2(3H)-one (cas: 706-14-9) 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. 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.Electric Literature of C10H18O2

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

Effect of different heat treatments on the Maillard reaction products, volatile compounds and glycation level of milk was written by Zhang, Yumeng;Yi, Shengnan;Lu, Jing;Pang, Xiaoyang;Xu, Xiaoxi;Lv, Jiaping;Zhang, Shuwen. And the article was included in International Dairy Journal in 2021.Computed Properties of C10H18O2 This article mentions the following:

In this study, the formation of Maillard reaction products and the Maillard reaction sites of milk proteins were studied under different heat treatment conditions. Fifteen samples heated at 75, 90, 105, 120 or 135°C for 5, 15 or 30 s were selected to investigate the effects of different heat treatment conditions on the Maillard reaction products volatile compounds and protein glycation degree. The contents of fluorescence intensity, furosine, lactulose, and 5-hydroxymethylfural were pos. associated with the heat temperature and treatment time. Compared with that of raw milk, the number of glycated proteins increased from 14 to 49 in the milk samples heated at 135°C for 5 s, and the number of binding sites increased from 47 to 166. These results advance current knowledge about the effect of different heat treatments on the degree of the Maillard reaction and the sensory quality and glycation level of milk. 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 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. 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

T-type calcium channel blockers: spiro-piperidine azetidines and azetidinones-optimization, design and synthesis was written by Smith, Elizabeth M.;Sorota, Steve;Kim, Hyunjin M.;McKittrick, Brian A.;Nechuta, Terry L.;Bennett, Chad;Knutson, Chad;Burnett, Duane A.;Kieselgof, Jane;Tan, Zheng;Rindgen, Diane;Bridal, Terry;Zhou, Xiaoping;Jia, Yu-Ping;Dong, Zoe;Mullins, Debbie;Zhang, Xiaoping;Priestley, Tony;Correll, Craig C.;Tulshian, Deen;Czarniecki, Michael;Greenlee, William J.. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2010.Category: esters-buliding-blocks This article mentions the following:

A series of spiro-azetidines and azetidinones has been evaluated as novel blockers of the T-type calcium channel (Ca_V3.2) which is a new therapeutic target for the potential treatment of both inflammatory and neuropathic pain. Confirmation and optimization of the potency, selectivity and DMPK properties of leads will be described. In the experiment, the researchers used many compounds, for example, 3-Cyanophenylisocyanate (cas: 16413-26-6Category: esters-buliding-blocks).

3-Cyanophenylisocyanate (cas: 16413-26-6) 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. 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.Category: esters-buliding-blocks

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

Identification of aroma-active components in black teas produced by six Chinese tea cultivars in high-latitude region by GC-MS and GC-O analysis was written by Wang, Baoyi;Chen, Huimin;Qu, Fengfeng;Song, Yakang;Di, Taimei;Wang, Peiqiang;Zhang, Xinfu. And the article was included in European Food Research and Technology in 2022.Formula: C12H20O2 This article mentions the following:

In this study, gas chromatog.-mass spectrometry (GC-MS) and gas chromatog.-olfactometry (GC-O) anal. was performed to figure out the characteristic aroma compounds of high-latitude black teas and select the suitable cultivar for producing high-aroma black tea. Sensory evaluation revealed that Jinxuan presented an obviously floral aroma and got the highest score, followed by Longjing Changye, Zhongcha 302, Yingshuang, Baihaozao and Huangshan Quntizhong. Furthermore, a total of 135 volatiles were identified in all black teas and 12 components can be used to distinguish different latitude black teas by principal component anal. (PCA). Cluster anal. (CA) showed six samples were divided into two clusters and Jinxuan was classified sep. of cluster B. Based on GC-O anal., 41 volatile organic compounds (VOCs) were found to promote the aroma of high-latitude black teas. Among them, phenylethyl alc., geraniol, linalool, α-ionone, cis-3-hexenyl hexanoate and Me salicylate were the major contributors to the floral fragrance of black tea and accounted for a relative high proportion in Jinxuan, Longjing Changye and Baihaozao. In summary, Jinxuan and Longjing Changye were suitable for producing high-quality black tea in high-latitude area. In the experiment, the researchers used many compounds, for example, (E)-3,7-Dimethylocta-2,6-dien-1-yl acetate (cas: 105-87-3Formula: C12H20O2).

(E)-3,7-Dimethylocta-2,6-dien-1-yl acetate (cas: 105-87-3) 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. 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.Formula: C12H20O2

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

Synthesis and Biological Investigation of Coumarin Piperazine (Piperidine) Derivatives as Potential Multireceptor Atypical Antipsychotics was written by Chen, Yin;Wang, Songlin;Xu, Xiangqing;Liu, Xin;Yu, Minquan;Zhao, Song;Liu, Shicheng;Qiu, Yinli;Zhang, Tan;Liu, Bi-Feng;Zhang, Guisen. And the article was included in Journal of Medicinal Chemistry in 2013.Recommanded Product: Ethyl 3-oxo-3-(thiophen-2-yl)propanoate This article mentions the following:

The discovery and synthesis of potential and novel antipsychotic coumarin derivatives, associated with potent dopamine D₂, D₃, and serotonin 5-HT_1A and 5-HT_2A receptor properties, are the focus of the present article. The most-promising derivative was 7-(4-(4-(6-fluorobenzo[d]isoxazol-3-yl)-piperidin-1-yl)butoxy)-4-methyl-8-chloro-2H-chromen-2-one (I). This derivative possesses unique pharmacol. features, including high affinity for dopamine D₂ and D₃ and serotonin 5-HT_1A and 5-HT_2A receptors. Moreover, it possesses low affinity for 5-HT_2C and H₁ receptors (to reduce the risk of obesity associated with chronic treatment) and hERG channels (to reduce the incidence of torsade de pointes). In animal models, compound I inhibited apomorphine-induced climbing behavior, MK-801-induced hyperactivity, and the conditioned avoidance response without observable catalepsy at the highest dose tested. Further, fewer preclin. adverse events were noted with I compared with risperidone in assays that measured prolactin secretion and weight gain. Acceptable pharmacokinetic properties were also noted with I. Taken together, I may constitute a novel class of drugs for the treatment of schizophrenia. In the experiment, the researchers used many compounds, for example, Ethyl 3-oxo-3-(thiophen-2-yl)propanoate (cas: 13669-10-8Recommanded Product: Ethyl 3-oxo-3-(thiophen-2-yl)propanoate).

Ethyl 3-oxo-3-(thiophen-2-yl)propanoate (cas: 13669-10-8) 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. 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.Recommanded Product: Ethyl 3-oxo-3-(thiophen-2-yl)propanoate

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

Enantioselective synthesis of 4-substituted 4,5-dihydro-1H-[1,5]benzodiazepin-2(3H)-ones by the Lewis base-catalyzed hydrosilylation was written by Chen, Xing;Zheng, Yongsheng;Shu, Chang;Yuan, Weicheng;Liu, Bo;Zhang, Xiaomei. And the article was included in Journal of Organic Chemistry in 2011.Quality Control of Ethyl 3-oxo-3-(thiophen-2-yl)propanoate This article mentions the following:

Enantioselective synthesis of 4-substituted 4,5-dihydro-1H-[1,5]benzodiazepin-2(3H)-ones has been accomplished through chiral Lewis base-catalyzed hydrosilylation. The corresponding products were obtained in excellent yields (up to 99%) and enantioselectivities (up to 98%). The absolute configuration of product I has been determined as S by X-ray crystallog. anal. In the experiment, the researchers used many compounds, for example, Ethyl 3-oxo-3-(thiophen-2-yl)propanoate (cas: 13669-10-8Quality Control 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.Quality Control of Ethyl 3-oxo-3-(thiophen-2-yl)propanoate

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