Tag: 100-200

Reference of Ethyl oxalyl monochlorideIn 2022 ,《[3+2] Cycloaddition of Nitrile Imines with 3-Benzylidene Succinimides: A Facile Access to Functionalized Spiropyrazolines》 was published in Asian Journal of Organic Chemistry. The article was written by Yuan, Cheng; Ning, Xiaojun; Gao, Tao; Zeng, Zhigang; Lee, Kevin; Xing, Yalan; Sun, Shaofa; Wang, Gangqiang. The article contains the following contents:

A wide range of substituted spiro-pyrazoline derivatives I [R1 = heptyl, 4-methoxyphenyl, naphthalen-2-yl, etc.; R2 = cyclopropyl, 4-fluorophenyl, furan-2-yl, thiophen-2-yl, etc.; R3 = Ph, 3-methylphenyl, 4-cyanophenyl, etc.] containing the pyrrolidinone core have been prepared by alkalic treatment of 3-benzylidene succinimides II and nitrile imines. All reactions proceeded under mild conditions and the products I were isolated by column chromatog. in good yields with high diastereoselectivity. Furthermore, this method featured several advantages such as good functional group tolerance and simple scalability. The experimental part of the paper was very detailed, including the reaction process of Ethyl oxalyl monochloride(cas: 4755-77-5Reference of Ethyl oxalyl monochloride)

Ethyl oxalyl monochloride(cas: 4755-77-5) belongs to acyl chlorides. Lacking the ability to form hydrogen bonds, acyl chlorides have lower boiling and melting points than similar carboxylic acids. For example, acetic acid boils at 118 °C, whereas acetyl chloride boils at 51 °C. Like most carbonyl compounds, infrared spectroscopy reveals a band near 1750 cm−1.Reference of Ethyl oxalyl monochloride

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

Synthetic Route of C4H7NO2SIn 2018 ,《The facile and efficient organocatalytic platform for accessing 1,2,4-selenadiazoles and thiadiazoles under aerobic conditions》 was published in Tetrahedron Letters. The article was written by Putta, V. P. Rama Kishore; Gujjarappa, Raghuram; Vodnala, Nagaraju; Gupta, Richa; Pujar, Prasad P.; Malakar, Chandi C.. The article contains the following contents:

The organocatalytic approach towards synthesis of rarely explored 1,2,4-selenadiazole and thiadiazole scaffolds have been devised using corresponding carboxamides as substrates. The transformations were realized using two distinct conditions in the presence of catalytic vitamin B3 or thiourea under aerobic conditions. Developed methods overcome the associated limitations of previous reported approaches and the desired products were obtained in high yields and selectivity without the formation of toxic side-products. After reading the article, we found that the author used Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1Synthetic Route of C4H7NO2S)

Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1) belongs to anime. Acylation is one of the most important reactions of primary and secondary amines; a hydrogen atom is replaced by an acyl group (a group derived from an acid, such as RCOOH or RSO3H, by removal of ―OH, such as RC(=O)―, RS(O)2―, and so on). Reagents may be acid chlorides (RCOC1, RSO2C1), anhydrides ((RCO)2O), or even esters (RCOOR′); the products are amides of the corresponding acids.Synthetic Route of C4H7NO2S

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

Safety of Ethyl 3-oxopentanoateIn 2022 ,《Optimization of a Pyrimidinone Series for Selective Inhibition of Ca2+/Calmodulin-Stimulated Adenylyl Cyclase 1 Activity for the Treatment of Chronic Pain》 appeared in Journal of Medicinal Chemistry. The author of the article were Scott, Jason A.; Soto-Velasquez, Monica; Hayes, Michael P.; LaVigne, Justin E.; Miller, Heath R.; Kaur, Jatinder; Ejendal, Karin F. K.; Watts, Val J.; Flaherty, Daniel P.. The article conveys some information:

Adenylyl cyclase type 1 (AC1) is involved in signaling for chronic pain sensitization in the central nervous system and is an emerging target for the treatment of chronic pain. AC1 and a closely related isoform AC8 are also implicated to have roles in learning and memory signaling processes. Our team has carried out cellular screening for inhibitors of AC1 yielding a pyrazolyl-pyrimidinone scaffold with low micromolar potency against AC1 and selectivity vs. AC8. Structure-activity relationship (SAR) studies led to analogs with cellular IC50 values as low as 0.25 μM, selectivity vs. AC8 and other AC isoforms as well as other common neurol. targets. A representative analog displayed modest antiallodynic effects in a mouse model of inflammatory pain. This series represents the most potent and selective inhibitors of Ca2+/calmodulin-stimulated AC1 activity to date with improved drug-like physicochem. properties making them potential lead compounds for the treatment of inflammatory pain.Ethyl 3-oxopentanoate(cas: 4949-44-4Safety of Ethyl 3-oxopentanoate) was used in this study.

Ethyl 3-oxopentanoate(cas: 4949-44-4) belongs to ketone compounds. They are most widely used as solvents, especially in industries manufacturing explosives, lacquers, paints, and textiles. Ketones are also used in tanning, as preservatives, and in hydraulic fluids.Safety of Ethyl 3-oxopentanoate

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

《Drug repurposing: Discovery of troxipide analogs as potent antitumor agents》 was published in European Journal of Medicinal Chemistry in 2020. These research results belong to Lu, Nan; Huo, Jin-ling; Wang, Shuai; Yuan, Xiao-Han; Liu, Hong-Min. Product Details of 4949-44-4 The article mentions the following:

Drug repurposing plays a vital role in the discovery of undescribed bioactivities in clin. drugs. Based on drug repurposing strategy, we for the first time reported a novel series of troxipide analogs and then evaluated their antiproliferative activity against MCF-7, PC3, MGC-803, and PC9 cancer cell lines and WPMY-1, most of which showed obvious selectivity toward PC-3 over the other three cancer cell lines and WPMY-1. Compound 5q(I), especially, could effectively inhibit PC3 with an IC50 value of 0.91μM, which exhibited around 53-fold selectivity toward WPMY-1. Data indicated that 5q effectively inhibited the colony formation, suppressed the cell migration, and induced G1/S phase arrest in PC3 cells. Also, compound 5q induced cell apoptosis by activating the two apoptotic signaling pathways in PC3 cells: death receptor-mediated extrinsic pathway and mitochondria-mediated intrinsic pathway. Compound 5q up-regulated the expression of both pro-apoptotic Bax and P53, while down-regulated anti-apoptotic Bcl-2 expression. Besides, compound 5q significantly increased the expression of cleaved caspase 3/9 and cleaved PARP. Therefore, the successful discovery of compound 5q may further validate the feasibility of this theory, which will encourage researchers to reveal undescribed bioactivities in traditional drugs.Ethyl 3-oxopentanoate(cas: 4949-44-4Product Details of 4949-44-4) was used in this study.

Ethyl 3-oxopentanoate(cas: 4949-44-4) belongs to ketone compounds. Ketones are highly reactive, although less so than aldehydes, to which they are closely related. Much of their chemical activity results from the nature of the carbonyl group. Ketones readily undergo a wide variety of chemical reactions.Product Details of 4949-44-4

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

《An efficient synthesis of 9-anthrone lactone derivatives via the Knoevenagel condensation and intramolecular cyclization》 was published in Journal of Heterocyclic Chemistry in 2020. These research results belong to Tan, Weiqiang; Zheng, Jifang; Guan, Jing; Zhan, Xiuzhi; Gao, Liming; Lyu, Lili; Shan, Bin; Yang, Qipeng; Ma, Mingliang; Xia, Yan. Quality Control of Ethyl 3-oxopentanoate The article mentions the following:

One-step synthesis of 9-anthrone lactone derivatives from 1-acetyloxyanthraquinone with a variety of dicarbonyl substrates in the presence of K2CO3 by Knovenagel condensation and intramol. cyclization is developed. Possible reaction mechanisms have been investigated using the d. functional theory (DFT), which has been widely used in the study of reaction mechanism. The strategy could be useful for the synthesis of the core structure of marine natural product aspergiolide. In the experiment, the researchers used many compounds, for example, Ethyl 3-oxopentanoate(cas: 4949-44-4Quality Control of Ethyl 3-oxopentanoate)

Ethyl 3-oxopentanoate(cas: 4949-44-4) belongs to ketone compounds. Ketones are highly reactive, although less so than aldehydes, to which they are closely related. Much of their chemical activity results from the nature of the carbonyl group. Ketones readily undergo a wide variety of chemical reactions.Quality Control of Ethyl 3-oxopentanoate

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

The author of 《Non-invasive plant disease diagnostics enabled by smartphone-based fingerprinting of leaf volatiles》 were Li, Zheng; Paul, Rajesh; Ba Tis, Taleb; Saville, Amanda C.; Hansel, Jeana C.; Yu, Tao; Ristaino, Jean B.; Wei, Qingshan. And the article was published in Nature Plants (London, United Kingdom) in 2019. Formula: C8H8O3 The author mentioned the following in the article:

Plant pathogen detection conventionally relies on mol. technol. that is complicated, time-consuming and constrained to centralized laboratories We developed a cost-effective smartphone-based volatile organic compound (VOC) fingerprinting platform that allows non-invasive diagnosis of late blight caused by Phytophthora infestans by monitoring characteristic leaf volatile emissions in the field. This handheld device integrates a disposable colorimetric sensor array consisting of plasmonic nanocolorants and chemo-responsive organic dyes to detect key plant volatiles at the ppm level within 1 min of reaction. We demonstrate the multiplexed detection and classification of ten individual plant volatiles with this field-portable VOC-sensing platform, which allows for early detection of tomato late blight 2 d after inoculation, and differentiation from other pathogens of tomato that lead to similar symptoms on tomato foliage. Furthermore, we demonstrate a detection accuracy of ≥95% in diagnosis of P. infestans in both laboratory-inoculated and field-collected tomato leaves in blind pilot tests. Finally, the sensor platform has been beta-tested for detection of P. infestans in symptomless tomato plants in the greenhouse setting. In the part of experimental materials, we found many familiar compounds, such as Methyl Salicylate(cas: 119-36-8Formula: C8H8O3)

Methyl Salicylate(cas: 119-36-8) is a natural herbivore-induced plant volatile. It is a naturally occurring product in trees, legumes, exotic plants, vegetables, berries, and the primary constituent of the oil of wintergreen.Methyl Salicylate is produced from salicylic acid.Formula: C8H8O3

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

In 2019,Asian Journal of Organic Chemistry included an article by Ren, Zhi-Lin; Su, Lei; Cai, Shuang; Lu, Wen-Ting; Qiao, Yue; He, Ping; Ding, Ming-Wu. COA of Formula: C7H12O3. The article was titled 《Synthesis of Polysubstituted Pyridine Derivatives via Sequential AlCl3-Catalyzed Condensation/Aza-Wittig/Isomerization Reactions and A Study of Their Antifungal Activities》. The information in the text is summarized as follows:

A facile approach to access polysubstituted pyridine derivatives starting from Baylis-Hillman adducts was disclosed. The reactions proceeded smoothly by sequential AlCl3-catalyzed condensation/aza-Wittig/isomerization reactions leading to the target products at room temperature within 24 h in moderate to good yields. Furthermore, the final products were evaluated in mycelial growth tests against Pythium dissimile, Botryotinia fuckeliana and Zymoseptoria tritici and showed potential activities. In the experiment, the researchers used Ethyl 3-oxopentanoate(cas: 4949-44-4COA of Formula: C7H12O3)

Ethyl 3-oxopentanoate(cas: 4949-44-4) belongs to ketone compounds. Ketones are highly reactive, although less so than aldehydes, to which they are closely related. Much of their chemical activity results from the nature of the carbonyl group. Ketones readily undergo a wide variety of chemical reactions.COA of Formula: C7H12O3

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

In 2017,Okawa, Tomohiro; Aramaki, Yoshio; Yamamoto, Mitsuo; Kobayashi, Toshitake; Fukumoto, Shoji; Toyoda, Yukio; Henta, Tsutomu; Hata, Akito; Ikeda, Shota; Kaneko, Manami; Hoffman, Isaac D.; Sang, Bi-Ching; Zou, Hua; Kawamoto, Tetsuji published 《Design, Synthesis, and Evaluation of the Highly Selective and Potent G-Protein-Coupled Receptor Kinase 2 (GRK2) Inhibitor for the Potential Treatment of Heart Failure》.Journal of Medicinal Chemistry published the findings.HPLC of Formula: 16982-21-1 The information in the text is summarized as follows:

A novel class of therapeutic drug candidates for heart failure, highly potent and selective GRK2 inhibitors, exhibit potentiation of β-adrenergic signaling in vitro studies. Hydrazone derivative and 1,2,4-triazole derivative were identified as hit compounds by HTS. New scaffold generation and SAR studies of all parts resulted in a 4-methyl-1,2,4-triazole derivative with an N-benzylcarboxamide moiety with highly potent activity towards GRK2, and selectivity over other kinases. In terms of subtype selectivity, these compounds showed enough selectivity against GRK1, 5, 6, 7 with almost equipotent inhibition to GRK3. The medicinal chem. efforts led to the discovery of I (GRK2 IC50 = 18 nM) which was obtained the cocrystal structure with human GRK2 and an inhibitor of GRK2 that potentiates β-adrenergic receptor (βAR)-mediated cAMP accumulation and prevents internalization of βARs in β2AR-expressing HEK293 cells treated with isoproterenol. Therefore, I appears to be a novel class of therapeutic for heart failure treatment. In the experimental materials used by the author, we found Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1HPLC of Formula: 16982-21-1)

Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1) belongs to anime. Many important products require amines as part of their syntheses. Methylamine is utilized in the production of the analgesic meperidine (trade name Demerol) and the photographic developer Metol (trademark), and dimethylamine is used in the synthesis of the antihistamine diphenhydramine (trade name Benadryl), the solvent dimethylformamide (DMF), and the rocket propellant 1,1-dimethylhydrazine. The synthesis of the insect repellent N,N-diethyl-m-toluamide (DEET) incorporates diethylamine while that of the synthetic fibre Kevlar requires aromatic amines.HPLC of Formula: 16982-21-1

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

In 2013,Li, Bei; Cociorva, Oana M.; Nomanbhoy, Tyzoon; Weissig, Helge; Li, Qiang; Nakamura, Kai; Liyanage, Marek; Zhang, Melissa C.; Shih, Ann Y.; Aban, Arwin; Hu, Yi; Cajica, Julia; Pham, Lan; Kozarich, John W.; Shreder, Kevin R. published 《Hit-to-lead optimization and kinase selectivity of imidazo[1,2-a]quinoxalin-4-amine derived JNK1 inhibitors》.Bioorganic & Medicinal Chemistry Letters published the findings.Synthetic Route of C8H6FNO4 The information in the text is summarized as follows:

As the result of a rhJNK1 high throughput screening, the imidazo[1,2-a]quinoxaline I was identified as a 1.6 μM rhJNK1 inhibitor. Optimization of this compound lead to AX13587, II (X = none), (rhJNK1 IC50 = 160 nM) which was co-crystallized with JNK1 to identify key mol. interactions. Kinase profiling against 125+ kinases revealed AX13587 was an inhibitor of JNK, MAST3, and MAST4 whereas its methylene homolog AX14373, II (X = CH2), (native JNK1 IC50 = 47 nM) was a highly specific JNK inhibitor. The experimental process involved the reaction of Methyl 4-fluoro-3-nitrobenzoate(cas: 329-59-9Synthetic Route of C8H6FNO4)

Methyl 4-fluoro-3-nitrobenzoate(cas: 329-59-9) belongs to methyl benzoate. Methyl benzoate reacts at both the ring and the ester, depending on the substrate. Electrophiles attack the ring, illustrated by acid-catalysed nitration with nitric acid to give methyl 3-nitrobenzoate.Synthetic Route of C8H6FNO4Methyl 4-fluoro-3-nitrobenzoate is used to prepare dimethyl 3-nitro-3′,4-oxydibenzoate by reacting with 3-hydroxy-benzoic acid methyl ester.

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

In 2012,Barve, Indrajeet J.; Chen, Chan-Yu; Salunke, Deepak B.; Chung, Wen-Sheng; Sun, Chung-Ming published 《Design and Synthesis of New Biprivileged Molecular Scaffolds: Indolo-Fused Benzodiazepinyl/quinoxalinyl benzimidazoles》.Chemistry – An Asian Journal published the findings.Safety of Methyl 4-fluoro-3-nitrobenzoate The information in the text is summarized as follows:

The design and synthesis of new biprivileged mol. scaffolds with diverse structural features is reported. Com. available, simple heterocyclic building blocks such as 4-fluoro-3-nitrobenzoic acid, 2-chloro-3-nitrobenzoic acid, and indoline were utilized for the synthesis of the novel heterocycles. Pictet-Spengler-type condensation was used as a key step to construct tetracyclic indolobenzodiazepines and indoloquinoxalines linked with substituted benzimidazoles. Anal. of single crystals of representative compounds showed that these mol. skeletons have the potential to present various substituents with distinct three-dimensional orientations. The experimental process involved the reaction of Methyl 4-fluoro-3-nitrobenzoate(cas: 329-59-9Safety of Methyl 4-fluoro-3-nitrobenzoate)

Methyl 4-fluoro-3-nitrobenzoate(cas: 329-59-9) belongs to methyl benzoate. Methyl benzoate reacts at both the ring and the ester, depending on the substrate. Electrophiles attack the ring, illustrated by acid-catalysed nitration with nitric acid to give methyl 3-nitrobenzoate.Safety of Methyl 4-fluoro-3-nitrobenzoateMethyl 4-fluoro-3-nitrobenzoate is used to prepare dimethyl 3-nitro-3′,4-oxydibenzoate by reacting with 3-hydroxy-benzoic acid methyl ester.

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