Tag: 100-200

Catalyst-free Hydrophosphinylation of Isocyanates and Isothiocyanates under Low-Added-Solvent Conditions was written by Huke, Cameron D.;Taylor, Laurence J.;Argent, Stephen P.;Kays, Deborah L.. And the article was included in ACS Sustainable Chemistry & Engineering in 2021.Synthetic Route of C4H7NS The following contents are mentioned in the article:

Phosphinecarboxamides R¹R²P(O)CXNHR³ (R¹, R² = Ph, ⁱPr, OEt, OMe; R³ = aryl, ⁱPr, ^tBu, n-Pr, C₆H₁₃, PhCH₂, Cy, 2-furyl; X = O, S) were prepared by green, catalyst-free, low-solvent hydrophosphination of isocyanates R³N:C:X with secondary phosphine oxides and dialkyl phosphites R¹R²P(O)H. A range of phosphorus nucleophiles including secondary phosphine oxides HP(O)R₂ (R = Ph, ⁱPr), phosphites HP(O)(OR)₂ (R = Me, Et), and Me phenylphosphinate were tested. The procedure tolerated isocyanates and isothiocyanates featuring a wide range of substituents, and with use of 4 equiv of 2-methyltetrahydrofuran (2-MeTHF), solid substrates can be utilized. Twenty-five compounds were prepared, with improved functional group tolerance compared to previous methods allowing access to new compounds (16 are novel). Facile scale up and simple reaction conditions make this a straightforward and practical methodol. for obtaining phosphorus analogs of ureas and thioureas, which are challenging to synthesize by other methods. This study involved multiple reactions and reactants, such as Isopropylisothiocyanate (cas: 2253-73-8Synthetic Route of C4H7NS).

Isopropylisothiocyanate (cas: 2253-73-8) 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. 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.Synthetic Route of C4H7NS

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

Bio-modified rubberized asphalt binder: A clean, sustainable approach to recycle rubber into construction was written by Lei, Lyu;Pei, Jianzhong;Hu, Dongliang;Sun, Guoqing;Fini, Elham H.. And the article was included in Journal of Cleaner Production in 2022.Quality Control of Methyl heptanoate The following contents are mentioned in the article:

This paper introduces a hybrid utilization of scrap tires and bio-oil made from biomass waste to create bio-modified rubberized asphalt for use in roadway construction. This in turn promotes clean and sustainable manufacturing while enhancing resource conservation and durability of pavements. The durability of pavements is impacted by the resistance of their asphalt binder to moisture damage and aging. This study examines the moisture resistance of bio-modified rubberized asphalt when exposed to thermal aging and UV aging. Study results show that thermal aging significantly weakens the cohesive properties of rubberized asphalt binder, while UV aging reduces its adhesive properties when exposed to water. Bio-modification of rubberized asphalt binder was found to be effective to improve resistance to cohesive damage by three times based on the rheol. test, and resistance to adhesive damage by 70% as measured by the moisture-induced shear-thinning index. The observed improvement is attributed to the bio-oil’s role as a sacrificial agent, delaying the reaction of free radicals and asphalt. Also, computational modeling shows that bio-oil mols. supersede asphalt mols. in adsorption to stones aggregates creating a stable bridge between stone and asphalt. The outcome of this study promotes clean and sustainable manufacturing while turning two waste streams (rubber and biomass waste) into a product (bio-modified rubber) in support of resource conservation and sustainability. This study involved multiple reactions and reactants, such as Methyl heptanoate (cas: 106-73-0Quality Control of Methyl heptanoate).

Methyl heptanoate (cas: 106-73-0) 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. 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.Quality Control of Methyl heptanoate

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

Rapid prediction of deoxynivalenol contamination in wheat bran by MOS-based electronic nose and characterization of the relevant pattern of volatile compounds was written by Lippolis, Vincenzo;Cervellieri, Salvatore;Damascelli, Anna;Pascale, Michelangelo;Di Gioia, Annalisa;Longobardi, Francesco;De Girolamo, Annalisa. And the article was included in Journal of the Science of Food and Agriculture in 2018.Safety of Methyl heptanoate The following contents are mentioned in the article:

BACKGROUND : Deoxynivalenol (DON) is a mycotoxin, mainly produced by Fusarium sp., most frequently occurring in cereals and cereal-based products. Wheat bran refers to the outer layers of the kernel, which has a high risk of damage due to chem. hazards, including mycotoxins. Rapid methods for DON detection in wheat bran are required. RESULTS : A rapid screening method using an electronic nose (e-nose), based on metal oxide semiconductor sensors, has been developed to distinguish wheat bran samples with different levels of DON contamination. A total of 470 naturally contaminated wheat bran samples were analyzed by e-nose anal. Wheat bran samples were divided in two contamination classes: class A ([DON] ≤ 400 μg kg^-1, 225 samples) and class B ([DON] > 400 μg kg^-1, 245 samples). Discriminant function anal. (DFA) classified wheat bran samples with good mean recognizability in terms of both calibration (92%) and validation (89%). A pattern of 17 volatile compounds of wheat bran samples that were associated (pos. or neg.) with DON content was also characterized by HS-SPME/GC-MS. CONCLUSIONS : These results indicate that the e-nose method could be a useful tool for high-throughput screening of DON-contaminated wheat bran samples for their classification as acceptable / rejectable at contamination levels close to the EU maximum limit for DON, reducing the number of samples to be analyzed with a confirmatory method. © 2018 Society of Chem. Industry. This study involved multiple reactions and reactants, such as Methyl heptanoate (cas: 106-73-0Safety of Methyl heptanoate).

Methyl heptanoate (cas: 106-73-0) 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 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. Safety of Methyl heptanoate

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

Understanding the interaction of isoleucine paired with other amino acids in soy whey alcohol fermentation using Torulaspora delbrueckii was written by Chua, Jian-Yong;Tan, Si Jia;Liu, Shao-Quan. And the article was included in International Journal of Food Microbiology in 2020.Recommanded Product: 2198-61-0 The following contents are mentioned in the article:

Soy (tofu) whey is a liquid byproduct generated from tofu (soybean curd) production and it is often discarded off as a waste liquid by the tofu manufacturers. In this study, the initial YAN of the soy whey was estimated to be 46.6 mg N/L and Torulaspora delbrueckii Biodiva was used to ferment soy whey supplemented with either isoleucine only or isoleucine paired with valine, leucine or phenylalanine (each amino acid supplemented at a dosage of 30 mg N/L). Amino acid supplementation was found to enhance sugar utilization by the yeast, which led to higher ethanol production (7.49% volume/volume in control vs. 8.35-8.80% volume/volume in supplemented samples). Samples supplemented with isoleucine only experienced slower sugar utilization during the fermentation as compared to the paired amino acid samples, but the yeast was still able to utilize the sugar to low levels at the end of the fermentation The presence of leucine supplementation counteracted the “inhibition” induced by the presence of isoleucine at the first day of the fermentation Amino acid supplementation slowed down glutamic acid utilization and resulted in higher levels of residual glutamic acid and alanine. Amino acid supplementation increased the corresponding fusel alc. production and the presence of other amino acids reduced the active amyl alc. production Therefore, interactions between amino acids can impact the metabolism of the yeast as well as the flavor modulation during soy whey fermentation This study involved multiple reactions and reactants, such as Isopentyl hexanoate (cas: 2198-61-0Recommanded Product: 2198-61-0).

Isopentyl hexanoate (cas: 2198-61-0) 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.Recommanded Product: 2198-61-0

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

Revealing compositional attributes of Glossostemon bruguieri Desf. root geographic origin and roasting impact via chemometric modeling of SPME-GC-MS and NMR metabolite profiles was written by Farag, Mohamed A.;Afifi, Sherif M.;Rasheed, Dalia M.;Khattab, Amira R.. And the article was included in Journal of Food Composition and Analysis in 2021.SDS of cas: 112-14-1 The following contents are mentioned in the article:

Glossostemon bruguieri Desf. (Moghat, Sterculiaceae), is a shrub well-known for its thick long-tapering dark colored roots, grown in the Middle East and North Africa. Studies on Glossostemon have focused on its nutritive value and health benefits attributed to its phenolic content with no extensive anal. of secondary metabolome. NMR metabolite fingerprinting of 12 G. bruguieri root specimens of different origins using 1D and 2D experiments identified 12 major primary and secondary metabolites. Orthogonal partial least squares-discriminant anal. (OPLS-DA) of NMR aromatic regions was competent in discriminating between roots origin based on moghatin and pinoresinol levels. Quantification of ¹H NMR spectra revealed enrichment of Siwa specimens in sugars i.e., sucrose and inositol (17.89 and 12.06μg/mg, resp.), as well as some secondary metabolites viz. moghatin, pinoresinol, takakin and fraxetin (7.73, 4.55, 3.81 and 3.03μg/mg, resp.), posing it for future incorporation in nutraceuticals. However, much less is known regarding aroma and roasting impact on root chem. composition Volatile profiles of 15 unroasted and roasted specimens were analyzed using headspace solid-phase microextraction coupled to mass spectrometry. 100 Volatile constituents were identified dominated by aldehydes, ethers and mono- and sesquiterpenes, whereas esters were abundant in roasted roots. OPLS-DA identified 2-ethyl-6-methylpyrazine and 5-methyl-2-furfural as roasting descriptors. This study involved multiple reactions and reactants, such as Octyl acetate (cas: 112-14-1SDS of cas: 112-14-1).

Octyl acetate (cas: 112-14-1) 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.SDS of cas: 112-14-1

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

Design and synthesis of novel C₁₄-urea-tetrandrine derivatives with potent anti-cancer activity was written by Lan, Junjie;Huang, Lan;Lou, Huayong;Chen, Chao;Liu, Tangjingjun;Hu, Shengcao;Yao, Yao;Song, Junrong;Luo, Jun;Liu, Yazhou;Xia, Bin;Xia, Lei;Zeng, Xueyi;Ben-David, Yaacov;Pan, Weidong. And the article was included in European Journal of Medicinal Chemistry in 2018.HPLC of Formula: 2253-73-8 The following contents are mentioned in the article:

Tetrandrine is a dibenzyltetrahydroisoquinoline alkaloid, isolated from traditional Chinese medicinal plant Stephania tetrandra, with antitumor activity. Our previous study identified several derivatives of tetrandrine showing better activities than parental compound against human hepatocellular carcinoma cells. To increase diversity and cytotoxic activities of the original compound, a series of novel 14-urea-tetrandrine derivatives were synthesized through structural modification of tetrandrine. These derivatives demonstrated a moderate to strong anti-proliferative activities against human cell lines HEL and K562 (Leukemia), prostate (PC3), breast (MDA-MB-231) and melanoma (WM9). Compound I showed strongest cytotoxic effect against PC3 cells with IC₅₀ value of 0.64 μM, which was 12-fold, 31-fold and 26-fold lower than the parental tetrandrine, 5-fluorouracil and cisplatin, resp. Preliminary structure-activity relationship study indicated that urea substitution was the key pharmacophore for the enhancement of their antitumor activities. Induction of apoptosis by I was associated with the activation of pro-apoptotic protein BAX and inhibition of antiapoptosis proteins survivin as well as Bcl-2. Moreover, activation of caspases led to increase cleavage of PARP, which further accelerates apoptotic cell death. These results reveal that the compound I may be used as a potential anticancer drug candidate. This study involved multiple reactions and reactants, such as Isopropylisothiocyanate (cas: 2253-73-8HPLC of Formula: 2253-73-8).

Isopropylisothiocyanate (cas: 2253-73-8) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. 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.HPLC of Formula: 2253-73-8

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

Discrimination of Malaysian stingless bee honey from different entomological origins based on physicochemical properties and volatile compound profiles using chemometrics and machine learning was written by Sharin, Siti Nurhidayah;Sani, Muhamad Shirwan Abdullah;Jaafar, Mohd Azwan;Yuswan, Mohd Hafis;Kassim, Nur Kartinee;Manaf, Yanty Noorzianna;Wasoh, Helmi;Zaki, Nor Nadiha Mohd;Hashim, Amalia Mohd. And the article was included in Food Chemistry in 2021.Reference of 112-14-1 The following contents are mentioned in the article:

Identification of honey origin based on specific chem. markers is important for honey authentication. This study is aimed to differentiate Malaysian stingless bee honey from different entomol. origins (Heterotrigona bakeri, Geniotrigona thoracica and Tetrigona binghami) based on physicochem. properties (pH, moisture content, ash, total soluble solid and elec. conductivity) and volatile compound profiles. The discrimination pattern of 75 honey samples was observed using Principal Component Anal. (PCA), Hierarchical Clustering Anal. (HCA), Partial Least Square-Discriminant Anal. (PLS-DA), and Support Vector Machine (SVM). The profiles of H. bakeri and G. thoracica honey were close to each other, but clearly separated from T. binghami honey, consistent with their phylogenetic relationship. T. binghami honey is marked by significantly higher elec. conductivity, moisture and ash content, and high abundance of 2,6,6-trimethyl-1-cyclohexene-1-carboxaldehyde, 2,6,6-trimethyl-1-cyclohexene-1-acetaldehyde and Et 2-(5-methyl-5-vinyltetrahydrofuran-2-yl)propan-2-yl carbonate. Copaene was proposed as chem. marker for G. thoracica honey. The potential of different parameters that aid in honey authentication was highlighted. This study involved multiple reactions and reactants, such as Octyl acetate (cas: 112-14-1Reference of 112-14-1).

Octyl acetate (cas: 112-14-1) 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.Reference of 112-14-1

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

Design and synthesis of novel androgen receptor antagonists via molecular modeling was written by Zhao, Chao;Choi, You Hee;Khadka, Daulat Bikram;Jin, Yifeng;Lee, Kwang-Youl;Cho, Won-Jea. And the article was included in Bioorganic & Medicinal Chemistry in 2016.Recommanded Product: Ethyl 3-ethoxypropanoate The following contents are mentioned in the article:

Several androgen receptor (AR) antagonists are clin. prescribed to treat prostate cancer. Unfortunately, many patients become resistant to the existing AR antagonists. To overcome this, a novel AR antagonist candidate called DIMN was discovered by our research group in 2013. In order to develop compounds with improved potency, we designed novel DIMN derivatives based on a docking study and substituted carbons with heteroatom moieties. Encouraging in vitro results for compounds 1b, 1c, 1e, 3c, and 4c proved that the new design was successful. Among the newly synthesized compounds, 1e exhibited the strongest inhibitory effect on LNCaP cell growth (IC₅₀ = 0.35 μM) and also acted as a competitive AR antagonist with selectivity over the estrogen receptor (ER) and the glucocorticoid receptor (GR). A docking study of compound 1e fully supported these biol. results. Compound 1e is considered to be a novel, potent and AR-specific antagonist for treating prostate cancer. Thus, our study successfully applied mol. modeling and bioisosteric replacement for hit optimization. The methods here provide a guide for future development of drug candidates through structure-based drug discovery and chem. modifications. This study involved multiple reactions and reactants, such as Ethyl 3-ethoxypropanoate (cas: 763-69-9Recommanded Product: Ethyl 3-ethoxypropanoate).

Ethyl 3-ethoxypropanoate (cas: 763-69-9) 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. Recommanded Product: Ethyl 3-ethoxypropanoate

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

Effect of mixed yeasts on the waste lees liquor quality of Nongxiangxing baijiu was written by Zhang, Hai-ying;Zhou, Rui-ping;Fan, Yi-ling;Luo, Ming-you;Deng, Jie;You, Ling. And the article was included in Anhui Nongye Kexue in 2022.Product Details of 2198-61-0 The following contents are mentioned in the article:

[Objective] To explore the effect of mixed yeasts on the waste lees liquor quality of Nongxiangxing Baijiu. [Method] The two yeast strains Z8Y-15 and S633Y-28-1 isolated from Nongxiangxing Baijiu brewing environment were inoculated in distillers’ grains and fermented for 40 days in pits. Then the contents of main components and aroma flavor-producing substances in fermented grains were detected. [Result] The result showed that the saccharifying power of mixture by two different yeast stains are more effective than a single tested stain or blank control group (P<0.01), along with the average alc. production was 8460.27 mg/L, which was 35.88% higher than that of the control group. These characteristics significantly improved the yield of wine. Meanwhile, the mixed yeasts could significantly reduce the contents of n-butanol and benzyl alc. in the waste distiller’s grains (P<0.05), increase the contents of isoamyl hexanoate (P<0.05), β-phenylethanol and Et butyrate (P<0.01). Thus the waste lees liquor body could change to be milder, and the flavor of waste lees liquor was more harmonious. [Conclusion] This study may shed light on the prospect of mixed yeasts in the future waste lees liquor production This study involved multiple reactions and reactants, such as Isopentyl hexanoate (cas: 2198-61-0Product Details of 2198-61-0).

Isopentyl hexanoate (cas: 2198-61-0) 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. 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 2198-61-0

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

Packham′s triumph pears (Pyrus communis L.) post-harvest treatment during cold storage based on chitosan and rue essential oil was written by Peralta-Ruiz, Yeimmy;Grande-Tovar, Carlos David;Porras, Diana Paola Navia;Sinning-Mangonez, Angie;Delgado-Ospina, Johannes;Gonzalez-Locarno, Maria;Pautt, Yarley Maza;Chaves-Lopez, Clemencia. And the article was included in Molecules in 2021.Safety of Octyl acetate The following contents are mentioned in the article:

Pears (Pyrus communis L.) cv. Packham′s Triumph are very traditional for human consumption, but pear is a highly perishable climacteric fruit with a short shelf-life affected by several diseases with a microbial origin. In this study, a protective effect on the quality properties of pears was evidenced after the surface application of chitosan-Ruta graveolens essential oil coatings (CS + RGEO) in four different concentrations (0, 0.5, 1.0 and 1.5 %, volume/volume) during 21 days of storage under 18 °C. After 21 days of treatment, a weight loss reduction of 10% (from 40.2 ± 5.3 to 20.3 ± 3.9) compared to the uncoated pears was evident with CS + RGEO 0.5%. All the fruits′ phys.-chem. properties evidenced a protective effect of the coatings. The maturity index increased for all the treatments. However, the pears with CS + RGEO 1.5% were lower (70.21) than the uncoated fruits (98.96). The loss of firmness for the uncoated samples was higher compared to the coated samples. The pears′ most excellent mech. resistance was obtained with CS + RGEO 0.5% after 21 days of storage, both for compression resistance (7.42 kPa) and force (22.7 N). Microbiol. studies demonstrated the protective power of the coatings. Aerobic mesophilic bacteria and molds were significantly reduced (in 3 Log CFU/g compared to control) using 15 μL/mL of RGEO, without affecting consumer perception. The results presented in this study showed that CS + RGEO coatings are promising in the post-harvest treatment of pears. This study involved multiple reactions and reactants, such as Octyl acetate (cas: 112-14-1Safety of Octyl acetate).

Octyl acetate (cas: 112-14-1) 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.Safety of Octyl acetate

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