Tag: 100-200

In 2011,Wang, Xiangwei; Zhao, Guoming; Zou, Huibin; Cao, Yujin; Zhang, Yongguang; Zhang, Rubing; Zhang, Fan; Xian, Mo published 《The base-free and selective oxidative transformation of 1,3-propanediol into methyl esters by different Au/CeO2 catalysts》.Green Chemistry published the findings.Synthetic Route of C4H8O3 The information in the text is summarized as follows:

Different Au/CeO2 catalysts, prepared by depositing gold on different facets of ceria nanocubes ({100}), nanorods ({110} and {100}) and nanopolyhedra ({111} and {100}), were sep. characterized by means of x-ray diffraction, N2 sorption, TPD and TPR. It was found that certain types of Au/CeO2 could selectively catalyze the oxidative transformation of 1,3-propanediol in methanol to Me 3-hydroxypropionate, Me 3-methoxypropionate, Me acrylate or di-Me malonate by mol. oxygen in the absence of any base. The selectivities of these Au/CeO2 catalysts depended on the shapes of the supporting CeO2 and the reaction temperature The Au/CeO2 cube catalyst with less acidic and basic sites exhibited high selectivity towards Me 3-hydroxypropionate (93.1% at 21.6% conversion). Comparatively, selectivities towards Me acrylate (41.6% at 92.3% conversion) and Me 3-methoxypropionate (40.2% at 92% conversion) increased using Au/CeO2 rod and polyhedron catalysts, which contained more acidic and basic sites than the cube catalyst. Moreover, we found the Au/CeO2 cube catalyst could be recycled without losing the gold nanoparticles. The experimental part of the paper was very detailed, including the reaction process of Methyl 3-hydroxypropanoate(cas: 6149-41-3Synthetic Route of C4H8O3)

Methyl 3-hydroxypropanoate(cas: 6149-41-3) belongs to esters with low molecular weight are commonly used as fragrances and found in essential oils and pheromones. 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. Synthetic Route of C4H8O3

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

The author of 《Synthesis of indoles and carbazoles from a lignin model compound α-hydroxyacetophenone》 were Chen, Zhiyan; Huang, Wenbo; Yi, Liqi; Dong, Xiaohan; Sheng, Keyan; Li, Minghao; Bai, Rongxian; Sidorenko, A. Yu.; Huang, Jiang; Gu, Yanlong. And the article was published in Green Chemistry in 2022. Product Details of 30414-53-0 The author mentioned the following in the article:

Herein an efficient strategy of using an oxidized lignin model compound, α-hydroxyacetophenone, as starting material to synthesize indoles or carbazoles in conjunction with using pyrroles or indoles as counterpart reagents was described. The reactions were performed using Sc(OTf)3 as a catalyst in a bio-based green solvent, glycerol, and moderate to excellent yields were obtained. At the end of the reaction, both solvent and catalyst was recovered and reused. The novel approach presented here not only provided an eco-efficient route for the value-added conversion of lignin degradation products, but also extends the diversity of indole and carbazole derivatives, which are of potential importance in the development of functional photo-elec. materials. The results came from multiple reactions, including the reaction of Methyl 3-oxovalerate(cas: 30414-53-0Product Details of 30414-53-0)

Methyl 3-oxovalerate(cas: 30414-53-0) belongs to ketone compounds. Ketone compounds have important physiological properties. They are found in several sugars and in compounds for medicinal use, including natural and synthetic steroid hormones. Molecules of the anti-inflammatory agent cortisone contain three ketone groups.Product Details of 30414-53-0

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

The author of 《An electrochemical off-on method for pyrimidin-2(1H)-one synthesis via three-component cyclization》 were Kong, Yanyan; Li, Yabo; Huang, Mengmeng; Kim, Jung Keun; Wu, Yangjie. And the article was published in Green Chemistry in 2019. Category: esters-buliding-blocks The author mentioned the following in the article:

A green and simple ‘one-pot’ electrochem. off-on approach to synthesize pyrimidin-2(1H)-ones was realized without any catalyst, oxidant and toxic reagent. The desired products were obtained in moderate to good yields after the stepwise ‘one-pot’ reaction. The results of control experiments and cyclic voltammetry indicated that the electrooxidation of DHPMs might proceed via two steps process losing two-electrons and two-protons by absorption control with radical intermediates.Methyl 3-oxovalerate(cas: 30414-53-0Category: esters-buliding-blocks) was used in this study.

Methyl 3-oxovalerate(cas: 30414-53-0) belongs to ketone compounds. Ketone compounds have important physiological properties. They are found in several sugars and in compounds for medicinal use, including natural and synthetic steroid hormones. Molecules of the anti-inflammatory agent cortisone contain three ketone groups.Category: esters-buliding-blocks

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

Liu, Hao-Nan; Cao, Hao-Qiang; Cheung, Chi Wai; Ma, Jun-An published an article on February 21 ,2020. The article was titled 《Cu-Mediated Expeditious Annulation of Alkyl 3-Aminoacrylates with Aryldiazonium Salts: Access to Alkyl N2-Aryl 1,2,3-Triazole-carboxylates for Druglike Molecular Synthesis》, and you may find the article in Organic Letters.HPLC of Formula: 30414-53-0 The information in the text is summarized as follows:

A Cu-mediated annulation reaction of alkyl 3-aminoacrylates with aryldiazonium salts was described, both of which were readily available substrates. Furthermore, alkyl 2-aminoacrylates were also viable substrates. Diverse alkyl N2-aryl 1,2,3-triazole-carboxylates and their analogs was rapidly prepared under mild conditions. Especially, this protocol allowed one to access several druglike variants of carbonic anhydrase inhibitors and celecoxib.Methyl 3-oxovalerate(cas: 30414-53-0HPLC of Formula: 30414-53-0) was used in this study.

Methyl 3-oxovalerate(cas: 30414-53-0) belongs to ketone compounds. Ketone compounds have important physiological properties. They are found in several sugars and in compounds for medicinal use, including natural and synthetic steroid hormones. Molecules of the anti-inflammatory agent cortisone contain three ketone groups.HPLC of Formula: 30414-53-0

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

Lan, Jin; Le, Zhanggao; Li, Hongxia; Meng, Jia; Gong, Bozhen; Xie, Zongbo published their research in Molecular Catalysis on December 31 ,2020. The article was titled 《Selective synthesis of functionalized quinazolinone derivatives via biocatalysis》.Related Products of 30414-53-0 The article contains the following contents:

A novel and efficient biocatalyzed methodol. for the construction of functionalized quinazolinone derivatives via tandem / hydrolysis / decarboxylation / cyclization and transesterification reactions has been developed that works with a variety of 2-aminobenzamide and β-dicarbonyl compounds This method requires mild conditions, and has demonstrated high catalytic activity, excellent yields, excellent chemoselectivity, and a broad substrate scope. Addnl., biocatalyzed decarboxylation does not require high temperatures or light activation, giving it a substantial advantage over alternative techniques. Most importantly, it offers a new example for the exploration of simple, convenient, and environmentally friendly synthetic routes utilizing enzymes in organic chem.Methyl 3-oxovalerate(cas: 30414-53-0Related Products of 30414-53-0) was used in this study.

Methyl 3-oxovalerate(cas: 30414-53-0) belongs to ketone compounds. Ketone compounds have important physiological properties. They are found in several sugars and in compounds for medicinal use, including natural and synthetic steroid hormones. Molecules of the anti-inflammatory agent cortisone contain three ketone groups.Related Products of 30414-53-0

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

SDS of cas: 6553-72-6On May 15, 2015 ,《Nickel-Catalyzed Addition-Type Alkenylation of Unactivated, Aliphatic C-H Bonds with Alkynes: A Concise Route to Polysubstituted γ-Butyrolactones》 appeared in Organic Letters. The author of the article were Li, Mingliang; Yang, Yudong; Zhou, Danni; Wan, Danyang; You, Jingsong. The article conveys some information:

Through the nickel-catalyzed chelation-assisted C-H bond activation strategy, the addition-type alkenylation of unreactive β-C(sp3)-H bonds of aliphatic amides with internal alkynes is developed for the first time to produce γ,δ-unsaturated carboxylic amide derivatives [e.g., amide I + PhCCPh → γ,δ-unsaturated amide II (78% optimized, E/Z 1/2.8) using Ni(OAc)2 and PPh3 in i-PrOH/toluene]. The resulting alkenylated products can further be transformed into polysubstituted γ-butyrolactones with pyridinium chlorochromate (PCC) [e.g., III → IV (78%)]. In addition to this study using Ethyl 1-methylcyclopentanecarboxylate, there are many other studies that have used Ethyl 1-methylcyclopentanecarboxylate(cas: 6553-72-6SDS of cas: 6553-72-6) was used in this study.

Ethyl 1-methylcyclopentanecarboxylate(cas: 6553-72-6) is a member of cyclopentanes. Although cyclopentane itself doesn’t have a single highly favoured conformation, a substituent on the cyclopentane ring can upset the balance of strains thereby favouring either the envelope or the half-chair.SDS of cas: 6553-72-6

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

Computed Properties of C6H10O3On September 30, 2021 ,《Pretreatment of sweet sorghum stalk with aqueous hydrogen peroxide for enhancing methanolysis and property of the bio-oil》 was published in Renewable Energy. The article was written by Li, Zhan-Ku; Cheng, Jin-Yuan; Yan, Hong-Lei; Yan, Jing-Chong; Lei, Zhi-Ping; Ren, Shi-Biao; Wang, Zhi-Cai; Kang, Shi-Gang; Shui, Heng-Fu. The article contains the following contents:

Alcoholysis is a promising approach for converting biomass into fuels and/or chems. under mild conditions. However, the effect of pretreatment on biomass alcoholysis was rarely reported. Herein, the effect of pretreatment with H2O2 on sweet sorghum stalk (SSS) methanolysis was examined The results show that the pretreatment could markedly improve the bio-oil (BO) yield and decrease the appropriate temperature for obtaining maximum BO yield. The appropriate temperature for pretreated SSS methanolysis was determined to be 280 °C and the maximum BO yield is 44 wt%. In addition, higher heating values of the BOs were also enhanced based on elemental anal. According to anal. with gas chromatograph/mass spectrometer, phenolic compounds, esters, and sugars are predominant in the BOs, and the yield of phenolic compounds significantly increased from 91.75 to 111.68 mg·g-1 by the pretreatment. Moreover, polar species in the BOs decreased and deoxygenation occurred during pretreated SSS methanolysis. Analyses with scanning electron microscope and N2 physisorption reveal that pretreated SSS has more grooves and higher sp. surface area and anomalous porosity than SSS. According to analyses with Fourier transform IR spectrometer and X-ray photoelectron spectrometer, oxygen functional groups mainly in the forms of C=O and COO were introduced into SSS by the pretreatment. The changes of phys. and chem. structures should be responsible for enhancing SSS methanolysis and property of the BO. In the experimental materials used by the author, we found Methyl 3-oxovalerate(cas: 30414-53-0Computed Properties of C6H10O3)

Methyl 3-oxovalerate(cas: 30414-53-0) belongs to ketone compounds. Ketone compounds have important physiological properties. They are found in several sugars and in compounds for medicinal use, including natural and synthetic steroid hormones. Molecules of the anti-inflammatory agent cortisone contain three ketone groups.Computed Properties of C6H10O3

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

Synthetic Route of C9H8O4On March 15, 2021, Sessa, Francesco; Olsson, Martina; Soederberg, Fredrik; Wang, Fang; Rahm, Martin published an article in ChemPhysChem. The article was 《Experimental Quantum Chemistry: A Hammett-inspired Fingerprinting of Substituent Effects》. The article mentions the following:

The quantum mech. calculable Q descriptor is shown to be a potent quantifier of chem. reactivity in complex mols. – it shows a strong correlation to exptl. derived field effects in non-aromatic substrates and Hammett σm and σp parameters. Models for predicting substituent effects from Q are presented and applied, including on the elusive pentazolyl substituent. The presented approach enables fast computational estimation of substituent effects, and, in extension, medium-throughput screening of mols. and compound design. An exptl. dataset is suggested as a candidate benchmark for aiding the general development and comparison of electronic structure analyses. It is here used to evaluate the exptl. quantum chem. (EQC) framework for chem. bonding anal. in larger mols. In addition to this study using 3-(Methoxycarbonyl)benzoic acid, there are many other studies that have used 3-(Methoxycarbonyl)benzoic acid(cas: 1877-71-0Synthetic Route of C9H8O4) was used in this study.

3-(Methoxycarbonyl)benzoic acid(cas: 1877-71-0) belongs to esters.Synthetic Route of C9H8O4 They are important in biology, being one of the main classes of lipids and comprising the bulk of animal fats and vegetable oils.Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones.

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

Computed Properties of C9H8O4On November 15, 2019 ,《Decarbonylative Phosphorylation of Carboxylic Acids via Redox-Neutral Palladium Catalysis》 appeared in Organic Letters. The author of the article were Liu, Chengwei; Ji, Chong-Lei; Zhou, Tongliang; Hong, Xin; Szostak, Michal. The article conveys some information:

We describe the direct synthesis of organophosphorus compounds from ubiquitous aryl and vinyl carboxylic acids via decarbonylative palladium catalysis. The catalytic system shows excellent scope and tolerates a wide range of functional groups (>50 examples). The utility of this powerful methodol. is highlighted in the late-stage derivatization directly exploiting the presence of the prevalent carboxylic acid functional group. DFT studies provided insight into the origin of high bond activation selectivity and P(O)-H isomerization pathway. In the experiment, the researchers used many compounds, for example, 3-(Methoxycarbonyl)benzoic acid(cas: 1877-71-0Computed Properties of C9H8O4)

3-(Methoxycarbonyl)benzoic acid(cas: 1877-71-0) belongs to esters. Esters are more polar than ethers but less polar than alcohols. Computed Properties of C9H8O4 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.

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

Name: tert-Butyl carbamateIn 2022 ,《Fluorine-induced diastereodivergence discovered in an equally rare enantioselective syn-aza-Henry reaction》 was published in Chemical Science. The article was written by Bing, Jade A.; Schley, Nathan D.; Johnston, Jeffrey N.. The article contains the following contents:

In attention to the aza-Henry reaction, particularly over the past two decades, a wide range of effective catalysts has been resulted for the enantio- and diastereoselective versions, driven by the versatility of the β-amino nitroalkane products RCH(R1)NO2 (R = H, F; R1 = Ph, 2-phenylethyl) as precursors to secondary amines anti/syn- RC(NO2)R1CH(R2)NH(C(O)2C(CH3)3) (R2 = 2,2-dimethylpropyl, CH2=CH(CH2)2, Ph, 4-chlorophenyl) and vic-diamines. Despite this broad effort, syn-diastereoselective variants are exceedingly rare. A subset of α-fluoro nitroalkane additions that are characterized by an unusual crossover in diastereoselection, often delivering the products with high selectivities is discovered. A rigorous comparative anal. of non-fluorinated and α-fluoro nitroalkanes in their additions to azomethines have been reported here. Both homogeneous and heterogeneous catalysis were applied to probe the possibility that this phenomenon might be more widely operative in the enantioselective additions of fluorine-substituted carbon nucleophiles. A complete correlation within four categories is described that a clear trend is uncovered, while revealing a dramatic and distinct reversal of diastereoselection that would normally go undetected. In the experiment, the researchers used tert-Butyl carbamate(cas: 4248-19-5Name: tert-Butyl carbamate)

tert-Butyl carbamate(cas: 4248-19-5) belongs to anime. Reduction of nitro compounds, RNO2, by hydrogen or other reducing agents produces primary amines cleanly (i.e., without a mixture of products), but the method is mostly used for aromatic amines because of the limited availability of aliphatic nitro compounds. Reduction of nitriles and oximes (R2C=NOH) also yields primary amines.Name: tert-Butyl carbamate

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