Month: December 2022

2-[3-Alkoxy-4-(hydroxy, alkoxy, acyloxy)phenyl]-2,3-dihydro-1H-benzimidazoles on the basis of vanillin and vanillal derivatives was written by Dikusar, E. A.;Kozlov, N. G.;Potkin, V. I.. And the article was included in Russian Journal of General Chemistry in 2007.Product Details of 20665-85-4 This article mentions the following:

Previously unknown 2-[3-alkoxy-4-(hydroxy-, alkoxy-, and acyloxy)phenyl]-2,3-dihydro-1H-benzimidazoles were prepared by the reaction of aldehydes of the vanillin series and their ethers and esters with 1,2-phenylenediamine in absolute MeOH. In the experiment, the researchers used many compounds, for example, 4-Formyl-2-methoxyphenyl isobutyrate (cas: 20665-85-4Product Details of 20665-85-4).

4-Formyl-2-methoxyphenyl isobutyrate (cas: 20665-85-4) 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. Product Details of 20665-85-4

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

Hit to Lead Account of the Discovery of Bisbenzamide and Related Ureidobenzamide Inhibitors of Rho Kinase was written by Morwick, Tina;Buttner, Frank H.;Cywin, Charles L.;Dahmann, Georg;Hickey, Eugene;Jakes, Scott;Kaplita, Paul;Kashem, Mohammed A.;Kerr, Steven;Kugler, Stanley;Mao, Wang;Marshall, Daniel;Paw, Zofia;Shih, Cheng-Kon;Wu, Frank;Young, Erick. And the article was included in Journal of Medicinal Chemistry in 2010.Category: esters-buliding-blocks This article mentions the following:

A highly selective series of bisbenzamide inhibitors of Rho-associated coiled-coil forming protein kinase (ROCK) and a related ureidobenzamide series, both identified by high throughput screening (HTS), are described. Details of the hit validation and lead generation process, including structure-activity relationship (SAR) studies, a selectivity assessment, target-independent profiling (TIP) results, and an anal. of functional activity using a rat aortic ring assay are discussed. 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. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. 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.Category: esters-buliding-blocks

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

Analysis and reconstitution of characteristic aromas in Tie Guanyin tea based on sensory-oriented separation and its application in cigarette flavoring was written by Cao, Xiaoliang;Zhang, Feng;Chai, Guobi;Liu, Jiazeng;Hong, Zucan;Zhou, Peichen;Sun, Shihao;Hu, Jun;Mao, Zhongyi;Ji, Lingbo;Fu, Yingjie;Xi, Hui. And the article was included in Zhongguo Yancao Xuebao in 2021.Application In Synthesis of 5-Hexyldihydrofuran-2(3H)-one This article mentions the following:

[Objective] This study aims to establish a method of natural flavor aroma reconstruction and style enhancement and applied it to cigarette flavoring. [Methods] With Tie Guanyin tea extracts as the object, characteristic aroma groups of Tie Guanyin tea were collected by sensory-oriented gel chromatog. separation Qual. and quant. anal. was conducted by HS-SPME combined with GC/MS anal. The olfactory thresholds of the 41 aroma components in ethanol were determined by three-alternative forcedchoice method, and their odor activity values (OAVs) were calculated on the basis of their mass fraction. On this basis, their contributions to the aroma of tea were estimated Organoleptic evaluation of the key aroma components based on OAV was verified by recombining reconstitution of the key aroma components in tea extracts, comparative evaluation based on aroma profile method and enhancement of characteristic aromas. [Results] 1) 117 streams were collected by sensory-oriented Gel chromatog. separation, in which 28 characteristic aroma streams of Tie Guanyin tea were separated and enriched. 2) 41 characteristic aroma components in Tie Guanyin tea extract were identified by screening, among which 22 aroma components, such as linalool, nerolidol, phenethyl alc., geraniol, citral, indole, Me jasmonate, and Et caproate, contribute the most to the sensory effects. 3) The aroma profile of the recombinant of key aroma components was basically consistent with that of Tie Guanyin tea extracts, so it could reproduce the aroma characteristics style of tea better. 4) The combination of tea aroma recombinants and tea extracts could enhance the tea flavor in cigarettes, enhance the floral scent, delicate fragrance, fruity fragrance significantly, increase the aroma intensity significantly and improve the smoking quality of cigarettes. In the experiment, the researchers used many compounds, for example, 5-Hexyldihydrofuran-2(3H)-one (cas: 706-14-9Application In Synthesis of 5-Hexyldihydrofuran-2(3H)-one).

5-Hexyldihydrofuran-2(3H)-one (cas: 706-14-9) 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.Application In Synthesis of 5-Hexyldihydrofuran-2(3H)-one

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

Flavor components in tobacco capsules identified through non-targeted quantitative analysis was written by Lim, Hyun-Hee;Choi, Kyeong-Yun;Shin, Ho-Sang. And the article was included in Journal of Mass Spectrometry in 2022.Related Products of 706-14-9 This article mentions the following:

Tobacco flavors increase the attractiveness of a tobacco brand and ultimately promote addiction. Information about what flavor and how much flavor is in flavor capsules can provide an effective way to regulate tobacco flavor. In this study, 128 flavor chems. were identified and quantified by gas chromatog.-mass spectrometry using libraries and authentic standards Validation of the developed method was performed for interference, detection limits, calibration curves, accuracy, and precision. Menthol was the main ingredient in all capsules, and the carcinogenic pulegone was detected. Detected menthofuran, benzyl alc., geraniol, and eugenol cause toxic or severe irritation, and detected lactones can increase nicotine addiction by inhibiting nicotine metabolism in smokers. Margin of exposures for carcinogenic pulegone and non-carcinogenic menthol were well below safety thresholds, indicating a significant risk of inhalation exposure. It is desirable to prohibit the use of flavor capsules in consideration of human risk. In the experiment, the researchers used many compounds, for example, 5-Hexyldihydrofuran-2(3H)-one (cas: 706-14-9Related Products of 706-14-9).

5-Hexyldihydrofuran-2(3H)-one (cas: 706-14-9) 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. Polyesters are important plastics, with monomers linked by ester moieties. 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.Related Products of 706-14-9

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

Asymmetric binding of symmetric guests in a water-soluble cavitand was written by Yu, Yang;Zhang, Kang-da;Petsalakis, Ioannis D.;Theodorakopoulos, Giannoula;Rebek, Julius Jr.. And the article was included in Supramolecular Chemistry in 2018.HPLC of Formula: 3903-40-0 This article mentions the following:

Binding of long aliphatic chains in water-soluble container compounds is driven by the hydrophobic effect: the CH2 groups of the guests are buried from water and solvate the inner aromatic surface of the host. The hydrophobic forces and the CH-π attractions are often sufficient to contort the guests into otherwise unfavorable shapes. Here we show that alkanes, α,ω-diols, α,ω-diacids and their Me esters assume folded, J-shaped conformations in a water-soluble cavitand. The environment of the guest’s ends interconvert rapidly on the NMR timescale through yo-yo like motions. The applications of water-soluble cavitands to reaction processes are discussed in the context of moving vs. fixed guest ends. In the experiment, the researchers used many compounds, for example, 12-Methoxy-12-oxododecanoic acid (cas: 3903-40-0HPLC of Formula: 3903-40-0).

12-Methoxy-12-oxododecanoic acid (cas: 3903-40-0) 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. 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. HPLC of Formula: 3903-40-0

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

The effect of side chains on the performance of solar cells fabricated from poly[2-methoxy-5-(2′-ethylhexoxy)-1,4-phenylene vinylene] and C₆₀ dicarboxylate was written by Zheng, Liping;Zhou, Qingmei;Deng, Xianyu;Wang, Fei;Ning, Bin;Guo, Zhi-Xin;Yu, Gang;Cao, Yong. And the article was included in Thin Solid Films in 2005.Recommanded Product: malonic acid dibutyl ester This article mentions the following:

This paper presents the synthesis of several new C₆₀ dicarboxylate esters. Blends with poly[2-methoxy-5-(2′-ethylhexoxy)-1,4-phenylene vinylene] were fabricated into polymer solar cells and the photovoltaic properties were tested. Effects of the substitution group attached to C₆₀ core on the photovoltaic properties were studied. Energy conversion efficiency increased at 1st, and then decreased with increasing size of substitution group. Also group polarity plays an important role in the performance of polymer photovoltaic devices. In the experiment, the researchers used many compounds, for example, malonic acid dibutyl ester (cas: 1190-39-2Recommanded Product: malonic acid dibutyl ester).

malonic acid dibutyl ester (cas: 1190-39-2) 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. 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: malonic acid dibutyl ester

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

Comparative investigation on aroma profiles of five different mint (Mentha) species using a combined sensory, spectroscopic and chemometric study was written by Zhang, Jiguang;Li, Man;Zhang, Hongfei;Pang, Xueli. And the article was included in Food Chemistry in 2022.Synthetic Route of C6H12O2 This article mentions the following:

Mint is a widely used aromatic plant, and the aroma varies among different species. The aroma of five mint species, Mentha citrata L. (MC), Mentha piperita L. (MPI), Mentha spicata L. (MSP), Mentha persicaria L. (MPE), and Mentha suaveolens L. (MSU), were comparatively studied on the sensorial and mol. level. Quant. descriptive anal. revealed that MC presented a pronounced lemon-like note, MSU is dominated by citrus and floral aromas, MPI has a prominent minty flavor, MSP and MPE have a similar scent, both of which are flavored with a spearmint-like note. Forty-one odorants with odor activity values (OAVs) ≥1 were characterized. Principal component anal. and orthogonal partial least squares discrimination anal. based on OAVs indicated that α-citral, menthofuran, isomenthone, menthol, carvone, and linalool were potential odor-active markers for five mint species discrimination. This study herein will provide guidance for mint resources utilization and also aid mint breeding with better flavor. In the experiment, the researchers used many compounds, for example, Methyl2-methylbutyrate (cas: 868-57-5Synthetic Route of C6H12O2).

Methyl2-methylbutyrate (cas: 868-57-5) 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. 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.Synthetic Route of C6H12O2

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

The effect of an alkoxy group on the kinetic and thermodynamic acidity of benzene and toluene was written by Schlosser, Manfred;Maccaroni, Paola;Marzi, Elena. And the article was included in Tetrahedron in 1998.Product Details of 81245-24-1 This article mentions the following:

2-, 3- And 4-Methoxytoluene can be selectively metalated at an O-adjacent ortho position when butylithium or tert-butyllithium in the presence of sodium (potassium) tert-butoxide or N,N,N’,N”,N”-pentamethyldiethylenetriamine are employed as reagents. In contrast, lithium diisopropylamide or lithium 2,2,6,6-tetramethylpiperidide deprotonate the benzylic α-position of 2- and 3-methoxytoluene exclusively and of 4-methoxytoluene preferentially. These relative reactivities can be rationalized by an interplay of transition state stabilizing and destabilizing forces (dipole matching and metal coordination vs. lone pair repulsion). In the experiment, the researchers used many compounds, for example, Methyl 2-methoxy-4-methylbenzoate (cas: 81245-24-1Product Details of 81245-24-1).

Methyl 2-methoxy-4-methylbenzoate (cas: 81245-24-1) 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 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.Product Details of 81245-24-1

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

Optimization of a Novel Series of Ataxia-Telangiectasia Mutated Kinase Inhibitors as Potential Radiosensitizing Agents was written by Min, Jaeki;Guo, Kexiao;Suryadevara, Praveen K.;Zhu, Fangyi;Holbrook, Gloria;Chen, Yizhe;Feau, Clementine;Young, Brandon M.;Lemoff, Andrew;Connelly, Michele C.;Kastan, Michael B.;Guy, R. Kiplin. And the article was included in Journal of Medicinal Chemistry in 2016.Recommanded Product: Methyl 5-methoxy-2-nitrobenzoate This article mentions the following:

We previously reported a novel inhibitor of the ataxia-telangiectasia mutated (ATM) kinase, which is a target for novel radiosensitizing drugs. While our initial lead, compound 4, was relatively potent and nontoxic, it exhibited poor stability to oxidative metabolism and relatively poor selectivity against other kinases. The current study focused on balancing potency and selectivity with metabolic stability through structural modification to the metabolized site on the quinazoline core. We performed extensive structure-activity and structure-property relationship studies on this quinazoline ATM kinase inhibitor in order to identify structural variants with enhanced selectivity and metabolic stability. We show that, while the C-7-methoxy group is essential for potency, replacing the C-6-methoxy group considerably improves metabolic stability without affecting potency. Promising analogs 20, 27g, and 27n were selected based on in vitro pharmacol. and evaluated in murine pharmacokinetic and tolerability studies. Compound 27g possessed significantly improve pharmacokinetics relative to that of 4. Compound 27g was also significantly more selective against other kinases than 4. Therefore, 27g is a good candidate for further development as a potential radiosensitizer. In the experiment, the researchers used many compounds, for example, Methyl 5-methoxy-2-nitrobenzoate (cas: 2327-45-9Recommanded Product: Methyl 5-methoxy-2-nitrobenzoate).

Methyl 5-methoxy-2-nitrobenzoate (cas: 2327-45-9) 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. 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 5-methoxy-2-nitrobenzoate

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

A Direct Bronsted Acid-Catalyzed Azidation of Benzhydrols and Carbohydrates was written by Regier, Jeffery;Maillet, Robert;Bolshan, Yuri. And the article was included in European Journal of Organic Chemistry in 2019.Electric Literature of C16H22O11 This article mentions the following:

Benzhydryl alcs. were converted into their corresponding diarylazidomethane analogs using azidotrimethylsilane (TMSN₃) in the presence of a catalytic amount of a Bronsted acid HBF₄·OEt₂. The azidation reactions proceeded in high yields and demonstrated excellent functional group tolerance to electron-donating and electron-withdrawing substituents. In addition, a range of unprotected functional groups including amine, amide, aldehyde and alc. were well-tolerated. Furthermore, this methodol. was successfully applied to carbohydrates for the preparation of the corresponding azide derivatives In the experiment, the researchers used many compounds, for example, (2S,3R,4S,5S,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate (cas: 4163-60-4Electric Literature of C16H22O11).

(2S,3R,4S,5S,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate (cas: 4163-60-4) 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. 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.Electric Literature of C16H22O11

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