Month: October 2021

In 2020 J ORG CHEM published article about ONE-POT SYNTHESIS; P=C BONDS; PHOSPHORUS; CHEMISTRY; SEPARATION; MOLECULES; CAVITIES in [Pearce, Kyle G.; Crossley, Ian R.] Univ Sussex, Dept Chem, Brighton BN1 9QJ, E Sussex, England in 2020, Cited 79. The Name is Dimethyl 5-aminoisophthalate. Through research, I have a further understanding and discovery of 99-27-4. COA of Formula: C10H11NO4

The condensation of MeP(SiMe3)(2) with a series of 5-substituted isophthaloyl chlorides (5-R’C6H3-2,6-{C(O)Cl}(2)) affords the diphosphametacyclophanes m-{-C(O)-C6H3-5-R’-(C(O)PMe)}(2) (R’ = I, Me, tBu, Ph, and p-NCC6H4); the analogues m-{-C(O)-C5H3N-(C(O)PMe)}(2) and m-{-C(O)-C6H4-(C(O)PPh)}(2) are similarly obtained in preference to higher oligomers, in contrast to precedent reports. The cyclophanes all adopt butterfly-like conformations in the solid state with the P-organyl substituents adopting mutually exo arrangements. Structural and computational data suggest the nature of the 5-R substituent is key in directing the inter-ring angle and the extent of LUMO stabilization about the diketophophanyl scaffold. The latter is substantiated by UV/vis spectroscopy and cyclic voltammetry, which demonstrate these cyclophanes to be appreciably comparable to the diketophosphanyl systems commonly explored in the context of organic electronic materials; intriguingly, the distinct dikeophosphanyl moieties within the macrocycles appear effectively insulated by the macrocycle geometry, rather than acting as a through-conjugate.

COA of Formula: C10H11NO4. About Dimethyl 5-aminoisophthalate, If you have any questions, you can contact Pearce, KG; Crossley, IR or concate me.

Reference:
Patent; ASTRA ZENECA AB; NPS PHARMACEUTICALS, INC.; WO2004/14881; (2004); A2;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Recommanded Product: Methyl 3-phenyl-2-propenoate. Recently I am researching about ESSENTIAL OIL COMPOSITION; AEDES-AEGYPTI; ANTIMICROBIAL ACTIVITIES; IN-VITRO; PLANTS; BOSTRICHIDAE; EFFICACY; CONSTITUENTS; BIOEFFICACY; BIOACTIVITY, Saw an article supported by the . Published in JOHN WILEY & SONS LTD in CHICHESTER ,Authors: Buxton, T; Takahashi, S; Doh, KME; Baffoe-Ansah, J; Owusu, EO; Kim, CS. The CAS is 103-26-4. Through research, I have a further understanding and discovery of Methyl 3-phenyl-2-propenoate

BACKGROUND Pest management using botanicals has been widely practiced in sub-Saharan Africa and other parts of the world in recent times. The natural compounds present in these botanicals are known to be responsible for the protection they offer against insect pests. Some of these compounds may act as single compounds to produce an effect or they may be synergistically effective. In the present study using a bioassay guided approach, two cinnamic acid derivatives, methyl cinnamate and sitosterol cinnamate, were isolated from the leaves of Ocimum gratissimum and Vitellaria paradoxa, respectively. RESULTS The two cinnamic acid derivatives were found to show higher levels of insecticidal, larvicidal and larval growth inhibition activities against Tribolium castaneum. The LC50 of methyl cinnamate was determined to be 26.92 mg mL(-1) (95% CL: 1.18.66-38.84 mg mL(-1); slope +/- SE: 2.84 +/- 0.81) for the adult 8.31 mg mL(-1) (95% CL: 2.39-28.83 mg mL(-1); slope +/- SE: 0.66 +/- 0.28) for the larvae while the LC50 of sitosterol cinnamate was determined to be 6.92 mg mL(-1) (95% CL: 3.97-12.06 mg mL(-1); slope +/- SE: 1.59 +/- 0.12) the adult and 3.91 mg mL(-1) (95% CL: 2.21-6.93 mg mL(-1); slope +/- SE: 1.52 +/- 0.13) for the larvae. CONCLUSION Generally, the susceptibility of adult T. castaneum to these cinnamic acid esters can be directly associated with the concentration as well as time of exposure to the compounds. The isolated compounds support the use of O. gratissimum and V. paradoxa as important botanicals for the management of storage pests. (c) 2019 Society of Chemical Industry

About Methyl 3-phenyl-2-propenoate, If you have any questions, you can contact Buxton, T; Takahashi, S; Doh, KME; Baffoe-Ansah, J; Owusu, EO; Kim, CS or concate me.. Recommanded Product: Methyl 3-phenyl-2-propenoate

Reference:
Article; Weng, Shiue-Shien; Ke, Chih-Shueh; Chen, Fong-Kuang; Lyu, You-Fu; Lin, Guan-Ying; Tetrahedron; vol. 67; 9; (2011); p. 1640 – 1648;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Authors Hanashima, M; Matsumura, T; Asaji, Y; Yoshimura, T; Matsuo, J in PHARMACEUTICAL SOC JAPAN published article about TANDEM WESSELY OXIDATION; CYCLOADDITION; ALKALOIDS; ADDITIONS in [Hanashima, Mika; Matsumura, Toshiki; Asaji, Yuta; Yoshimura, Tomoyuki; Matsuo, Jun-ichi] Kanazawa Univ, Grad Sch Med Sci, Div Pharmaceut Sci, Kakuma Machi, Kanazawa, Ishikawa 9201192, Japan in 2020.0, Cited 40.0. Quality Control of 6H-Benzo[c]chromen-6-one. The Name is 6H-Benzo[c]chromen-6-one. Through research, I have a further understanding and discovery of 2005-10-9

Regioselectivity for intramolecular Diels-Alder (IMDA) reactions of 6-acetoxy-6-alkenylcyclohexa-2,4-dien-1-ones that were formed by oxidation of 2-alkenylphenols with lead tetraacetate in acetic acid were studied. Bridged regioselectivity was observed in the IMDA reactions of 6-acetoxy-6-alkenylcyclohexa-2,4-dien-1-ones having a dienophile part which could conjugate with an aromatic group. Bridged seven-and eight-membered rings and bicyclo[2.2.2]octane skeletons were constructed by the present IMDA reactions. Density functional theory (DFT) calculations suggested that conjugation of the dienophile with neighboring aromatic groups lowered the highest occupied molecular orbital-lowest unoccupied molecular orbital (HOMO-LUMO) energy gap and preceded bridged [4 + 2] adducts.

Quality Control of 6H-Benzo[c]chromen-6-one. About 6H-Benzo[c]chromen-6-one, If you have any questions, you can contact Hanashima, M; Matsumura, T; Asaji, Y; Yoshimura, T; Matsuo, J or concate me.

Reference:
Article; Zhang, Jian; Shi, Dongdong; Zhang, Haifeng; Xu, Zheng; Bao, Hanyang; Jin, Hongwei; Liu, Yunkui; Tetrahedron; vol. 73; 2; (2017); p. 154 – 163;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

An article Oxidative Kinetic Resolution of Cyclic Benzylic Ethers WOS:000585986100001 published article about C-H BONDS; RACEMIC SECONDARY ALCOHOLS; HYDROGEN-PEROXIDE; ASYMMETRIC EPOXIDATION; OXOCARBENIUM IONS; AEROBIC OXIDATION; HYDROXYLATION; MECHANISM; COMPLEX; DESYMMETRIZATION in [Sun, Shutao; Ma, Yingang; Liu, Ziqiang; Liu, Lei] Shandong Univ, Sch Pharmaceut Sci, Jinan 250100, Peoples R China; [Sun, Shutao; Liu, Lei] Shandong Univ, Sch Chem & Chem Engn, Jinan 250100, Peoples R China in 2021.0, Cited 69.0. The Name is 6H-Benzo[c]chromen-6-one. Through research, I have a further understanding and discovery of 2005-10-9. Category: esters-buliding-blocks

A manganese-catalyzed oxidative kinetic resolution of cyclic benzylic ethers through asymmetric C(sp(3))-H oxidation is reported. The practical approach is applicable to a wide range of 1,3-dihydroisobenzofurans bearing diverse functional groups and substituent patterns at the alpha position with extremely efficient enantiodiscrimination. The generality of the strategy was further demonstrated by efficient oxidative kinetic resolution of another type of five-membered cyclic benzylic ether, 2,3-dihydrobenzofurans, and six-membered 6H-benzo[c]chromenes. Direct late-stage oxidative kinetic resolution of bioactive molecules that are otherwise difficult to access was further explored.

Category: esters-buliding-blocks. About 6H-Benzo[c]chromen-6-one, If you have any questions, you can contact Sun, ST; Ma, YG; Liu, ZQ; Liu, L or concate me.

Reference:
Article; Zhang, Jian; Shi, Dongdong; Zhang, Haifeng; Xu, Zheng; Bao, Hanyang; Jin, Hongwei; Liu, Yunkui; Tetrahedron; vol. 73; 2; (2017); p. 154 – 163;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Application In Synthesis of Dimethyl 5-aminoisophthalate. In 2021 ORG LETT published article about ALKENES in [Tang, Hai-Jun; Zhang, Bin; Feng, Chao] Nanjing Tech Univ, Sch Chem & Mol Engn, Tech Inst Fluorochem TIF, Inst Adv Synth, Nanjing 211816, Peoples R China; [Xue, Fei] Nanjing Forestry Univ, Coll Sci, Inst Mat Phys & Chem, Nanjing 210037, Peoples R China in 2021, Cited 37. The Name is Dimethyl 5-aminoisophthalate. Through research, I have a further understanding and discovery of 99-27-4.

An unprecedented approach for assembling a broad range of 1,2-diarylethane derivatives with fluorine-containing fully substituted carbon centers was developed. The protocol features straightforward operation, proceeds under metal-free condition, and accommodates a large variety of synthetically useful functionalities. The critical aspect to the success of this novel transformation lies in using aryldiazonium salts as both aryl radical progenitor and also as single electron acceptor which elegantly enables a radical-polar crossover manifold.

Application In Synthesis of Dimethyl 5-aminoisophthalate. About Dimethyl 5-aminoisophthalate, If you have any questions, you can contact Tang, HJ; Zhang, B; Xue, F; Feng, C or concate me.

Reference:
Patent; ASTRA ZENECA AB; NPS PHARMACEUTICALS, INC.; WO2004/14881; (2004); A2;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

An article Novel Time- and Location-Independent Postharvest Treatment of Cocoa Beans: Investigations on the Aroma Formation during Moist Incubation of Unfermented and Dried Cocoa Nibs and Comparison to Traditional Fermentation WOS:000575685800011 published article about PRECURSORS; SEEDS; PULP; IDENTIFICATION; ACIDIFICATION; PROTEIN; PROFILE; ACIDS in [Schluter, Ansgar; Huhn, Tilo; Kneubuhl, Markus; Chatelain, Karin; Rohn, Sascha; Chetschik, Irene] Zurich Univ Appl Sci ZHAW, Life Sci & Facil Management, CH-8820 Wadenswil, Switzerland in 2020.0, Cited 49.0. The Name is Methyl 3-phenyl-2-propenoate. Through research, I have a further understanding and discovery of 103-26-4. COA of Formula: C10H10O2

The aroma properties of cocoa nibs obtained by applying a novel postharvest treatment were investigated using methods of the molecular sensory science approach, i.e., solvent extraction and solvent-assisted flavor evaporation, aroma extract dilution analysis (AEDA), stable isotope dilution analysis, calculation of odor activity values (OAVs), and orthonasal sensory evaluation; those properties were then compared to the unfermented and dried raw material and a traditionally fermented sample of the same harvest. For the treatment, unfermented and dried cocoa nibs were, first, rehydrated with lactic acid and ethanol solution to adjust the pH value to 5.1 and, second, incubated under aerobic conditions for 72 h at 45 degrees C and subsequently dried. This treatment was used to induce enzymatic reactions within the cotyledon matrix, which also occur inside the bean during microbial fermentation of the surrounding fruit pulp. The results of the AEDA showed that many of the key aroma compounds found in fermented and dried cocoa increased during the incubation treatment. Especially some fruity esters were found with an equal or even higher flavor dilution (FD) factor in the incubated sample compared to the fermented sample, whereas the fermented sample showed high FD factors for pungent, sour and sweaty acids, such as acetic acid and 2- and 3-methylbutanoic acids. The quantitative data and calculated OAVs for the samples supported the findings of the AEDA, underlining the potential of this approach as a controllable and reproducible alternative postharvest treatment.

COA of Formula: C10H10O2. About Methyl 3-phenyl-2-propenoate, If you have any questions, you can contact Schluter, A; Huhn, T; Kneubuhl, M; Chatelain, K; Rohn, S; Chetschik, I or concate me.

Reference:
Article; Weng, Shiue-Shien; Ke, Chih-Shueh; Chen, Fong-Kuang; Lyu, You-Fu; Lin, Guan-Ying; Tetrahedron; vol. 67; 9; (2011); p. 1640 – 1648;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

In 2019 ACS CATAL published article about N-ISOCYANATES; CYCLOADDITION REACTIONS; CARBOXYLIC-ACIDS; BOND FORMATION; AMIDATION; ISOTHIOCYANATES; HYDROAMINATION; 1,4-ADDITION; ALLYLATION; ACTIVATION in [Derasp, Joshua S.; Beauchemin, Andre M.] Univ Ottawa, Dept Chem & Biomol Sci, Ctr Catalysis Res & Innovat, Ottawa, ON K1N 6N5, Canada in 2019, Cited 80. The Name is Dimethyl 5-aminoisophthalate. Through research, I have a further understanding and discovery of 99-27-4. Safety of Dimethyl 5-aminoisophthalate

Isocyanates are useful building blocks for the synthesis of amides, although their widespread use has been limited by their high reactivity, which often results in poor functional group tolerance and a propensity to oligomerize. Herein, a rhodium-catalyzed synthesis of amides is described coupling boroxines with blocked (masked) isocyanates. The success of the reaction hinges on the ability to form both the isocyanate and the organorhodium intermediates in situ. Relying on masked isocyanate precursors and on the high reactivity of the organorhodium intermediate results in broad functional group tolerance, including protic nucleophilic groups such as amines, anilines, and alcohols.

Safety of Dimethyl 5-aminoisophthalate. About Dimethyl 5-aminoisophthalate, If you have any questions, you can contact Derasp, JS; Beauchemin, AM or concate me.

Reference:
Patent; ASTRA ZENECA AB; NPS PHARMACEUTICALS, INC.; WO2004/14881; (2004); A2;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Product Details of 2005-10-9. In 2021.0 CHEM SCI published article about CHARGE-TRANSFER; ORGANIC COCRYSTALS; MOLECULAR-COMPLEX; DESIGN; ANTHRACENE; PYRENE; WILL in [Vriza, Aikaterini; Canaj, Angelos B.; Vismara, Rebecca; Cook, Laurence J. Kershaw; Manning, Troy D.; Gaultois, Michael W.; Berry, Neil; Dyer, Matthew S.; Rosseinsky, Matthew J.] Univ Liverpool, Dept Chem, 51 Oxford St, Liverpool L7 3NY, Merseyside, England; [Vriza, Aikaterini; Canaj, Angelos B.; Vismara, Rebecca; Cook, Laurence J. Kershaw; Manning, Troy D.; Gaultois, Michael W.; Berry, Neil; Dyer, Matthew S.; Rosseinsky, Matthew J.] Univ Liverpool, Mat Innovat Factory, 51 Oxford St, Liverpool L7 3NY, Merseyside, England; [Vriza, Aikaterini; Gaultois, Michael W.; Dyer, Matthew S.; Rosseinsky, Matthew J.] Univ Liverpool, Leverhulme Res Ctr Funct Mat Design, Oxford St, Oxford, England; [Wood, Peter A.] Cambridge Crystallog Data Ctr, 12 Union Rd, Cambridge CB2 1EZ, England; [Kurlin, Vitaliy] Univ Liverpool, Dept Comp Sci, Mat Innovat Factory, Liverpool L69 3BX, Merseyside, England in 2021.0, Cited 81.0. The Name is 6H-Benzo[c]chromen-6-one. Through research, I have a further understanding and discovery of 2005-10-9.

The implementation of machine learning models has brought major changes in the decision-making process for materials design. One matter of concern for the data-driven approaches is the lack of negative data from unsuccessful synthetic attempts, which might generate inherently imbalanced datasets. We propose the application of the one-class classification methodology as an effective tool for tackling these limitations on the materials design problems. This is a concept of learning based only on a well-defined class without counter examples. An extensive study on the different one-class classification algorithms is performed until the most appropriate workflow is identified for guiding the discovery of emerging materials belonging to a relatively small class, that being the weakly bound polyaromatic hydrocarbon co-crystals. The two-step approach presented in this study first trains the model using all the known molecular combinations that form this class of co-crystals extracted from the Cambridge Structural Database (1722 molecular combinations), followed by scoring possible yet unknown pairs from the ZINC15 database (21 736 possible molecular combinations). Focusing on the highest-ranking pairs predicted to have higher probability of forming co-crystals, materials discovery can be accelerated by reducing the vast molecular space and directing the synthetic efforts of chemists. Further on, using interpretability techniques a more detailed understanding of the molecular properties causing co-crystallization is sought after. The applicability of the current methodology is demonstrated with the discovery of two novel co-crystals, namely pyrene-6H-benzo[c]chromen-6-one (1) and pyrene-9,10-dicyanoanthracene (2).

About 6H-Benzo[c]chromen-6-one, If you have any questions, you can contact Vriza, A; Canaj, AB; Vismara, R; Cook, LJK; Manning, TD; Gaultois, MW; Wood, PA; Kurlin, V; Berry, N; Dyer, MS; Rosseinsky, MJ or concate me.. Product Details of 2005-10-9

Reference:
Article; Zhang, Jian; Shi, Dongdong; Zhang, Haifeng; Xu, Zheng; Bao, Hanyang; Jin, Hongwei; Liu, Yunkui; Tetrahedron; vol. 73; 2; (2017); p. 154 – 163;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

COA of Formula: C10H11NO4. In 2020 CATALYSTS published article about FUNCTIONALIZED NITROARENES; TRANSFER HYDROGENATION; REDUCTION; NANOPARTICLES; NANOCATALYSTS; CATALYSTS; EFFICIENT; OXIDATION; WATER; EPR in [Sohail, Manzar; Tahir, Nimra; Rubab, Anosha] Natl Univ Sci & Technol, Sch Nat Sci, Dept Chem, Islamabad 44000, Pakistan; [Beller, Matthias] Univ Rostock, Leibniz Inst Catalysis eV, Albert Einstein Str 29a, D-18059 Rostock, Germany; [Sharif, Muhammad] King Fahd Univ Petr & Minerals, Dept Chem, Dhahran 31261, Saudi Arabia in 2020, Cited 48. The Name is Dimethyl 5-aminoisophthalate. Through research, I have a further understanding and discovery of 99-27-4.

The fabrication of durable and low-cost nanostructured materials remains important in chemical, biologic and medicinal applications. Particularly, iron-based nanomaterials are of central importance due to the ‘noble’ features of iron such as its high abundance, low cost and non-toxicity. Herein we report a simple sol-gel method for the synthesis of novel iron-titanium nanocomposite-based material (Fe9TiO15@TiO2). In order to prepare this material, we made a polymeric gel using ferrocene, titanium isopropoxide and THF precursors. The calcination of this gel in air at 500 degrees C produced Fe-Ti bimetallic nanoparticles-based composite and nano-TiO(2)as support. Noteworthy, our methodology provides an excellent control over composition, size and shape of the resulting nanoparticles. The resulted Fe-based material provides a sustainable catalyst for selective synthesis of anilines, which are key intermediates for the synthesis of several chemicals, dyes and materials, via reduction of structurally diverse and functionalized nitroarenes.

COA of Formula: C10H11NO4. About Dimethyl 5-aminoisophthalate, If you have any questions, you can contact Sohail, M; Tahir, N; Rubab, A; Beller, M; Sharif, M or concate me.

Reference:
Patent; ASTRA ZENECA AB; NPS PHARMACEUTICALS, INC.; WO2004/14881; (2004); A2;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Recommanded Product: 103-25-3. In 2019.0 ACS CATAL published article about RING-OPENING REACTIONS; BICYCLIC HYDRAZINES; BORONIC ACIDS; RHODIUM; ALKYNES; DESYMMETRIZATION; ANNULATION; ACCESS; SCOPE in [Yang, Junfeng; Sekiguchi, Yoshiya; Yoshikai, Naohiko] Nanyang Technol Univ, Sch Phys & Math Sci, Div Chem & Biol Chem, Singapore 637371, Singapore; [Yang, Junfeng] Fudan Univ, Dept Chem, 2005 Songhu Rd, Shanghai 2000438, Peoples R China in 2019.0, Cited 71.0. The Name is Methyl 3-phenylpropionate. Through research, I have a further understanding and discovery of 103-25-3.

We report herein cobalt-catalyzed enantioselective and chemodivergent reactions between a cyclopropanol and an oxabicyclic alkene via a cobalt homoenolate, which afford either an alkylative ring-opening product or a hydroalkylation product, with the counterion of the cobalt catalyst being a major chemoselectivity-controlling factor. A catalyst generated from cobalt(II) chloride and a chiral diphosphine promotes alkylative ring opening to afford 1,2-dihydronaphthalen-1-ol derivatives in good yields with high enantioselectivity. By contrast, a catalyst generated from cobalt(II) acetate and the same diphosphine ligand, with the assistance of methanol, selectively affords hydroalkylation products with retention of the bicyclic structure at a comparable level of enantioselectivity.

Recommanded Product: 103-25-3. About Methyl 3-phenylpropionate, If you have any questions, you can contact Yang, JF; Sekiguchi, Y; Yoshikai, N or concate me.

Reference:
Patent; SANOFI; US2011/294788; (2011); A1;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics