Month: October 2022

Safety of 1,4-Diethynyl-2,5-dimethoxybenzeneOn May 3, 2019 ,《Synthesis of Alkynyl Sulfides by Copper-Catalyzed Thiolation of Terminal Alkynes Using Thiosulfonates》 appeared in Organic Letters. The author of the article were Kanemoto, Kazuya; Yoshida, Suguru; Hosoya, Takamitsu. The article conveys some information:

A mild and odorless copper-catalyzed thiolation of terminal alkynes with thiosulfonates is described. The broad substrate scope provides convenient access to a wide variety of sulfur-containing heterocycles. In particular, divergent benzoheteroles are efficiently prepared in a simple manner by thiolation of ethynylbenzenes bearing ortho-nucleophilic functional groups followed by iodocyclization. In the experiment, the researchers used many compounds, for example, 1,4-Diethynyl-2,5-dimethoxybenzene(cas: 74029-40-6Safety of 1,4-Diethynyl-2,5-dimethoxybenzene)

1,4-Diethynyl-2,5-dimethoxybenzene(cas: 74029-40-6) belongs to ethers. Ethers lack the hydroxyl groups of alcohols. Without the strongly polarized O―H bond, ether molecules cannot engage in hydrogen bonding with each other. Safety of 1,4-Diethynyl-2,5-dimethoxybenzene

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

The author of 《Bimetallic ruthenium complexes bridged by divinylphenylene bearing oligo(ethylene glycol)methylether: synthesis, (spectro)electrochemistry and the lithium cation effect》 were Tian, Li Yan; Liu, Yuan Mei; Tian, Guang-Xuan; Wu, Xiang Hua; Li, Zhen; Kou, Jun-Feng; Ou, Ya-Ping; Liu, Sheng Hua; Fu, Wen-Fu. And the article was published in Dalton Transactions in 2014. Category: ethers-buliding-blocks The author mentioned the following in the article:

1,4-Disubstituted Ru-vinyl complexes, (E,E)-[{(PMe3)3(CO)ClRu}2(μ-HC:CHArCH:CH)] (Ar = C6H2(OR)2, OR = (OCH2CH2)nOMe, n = 0-3), in which the 1,4-diethenylphenylene bridge bears two oligo(ethylene glycol)methyl ether side chains at different positions (2,5- and 2,3-positions), were prepared The resp. products were characterized by elemental analyses and NMR spectroscopy. The structures of complexes (E,E)-[{(PMe3)3(CO)ClRu}2(μ-HC:CHC6H2(OR)2CH:CH)] (1b, n = 1; 2,5-positions) and (E,E)-[{(PMe3)3(CO)ClRu}2(μ-HC:CHC6H2(OR)2CH:CH)] (1e, n = 0; 2,3-positions) were established by x-ray crystallog. The electronic properties of the complexes were studied by cyclic voltammetry, IR, and UV-visible/NIR spectroscopies. Electrochem. studies showed that the 2,5-substituents better stabilized the mixed-valence states; the electrochem. behavior was greatly affected by Li cations, especially for complex (E,E)-[{(PMe3)3(CO)ClRu}2(μ-HC:CHC6H2(OR)2CH:CH)] (1g, n = 2) with 2,3-substituents, which was further supported by IR and UV-visible/NIR spectra changes. Spectroelectrochem. studies showed that the redox chem. was dominated by the noninnocent character of the bridging fragment. In the experimental materials used by the author, we found 1,4-Diethynyl-2,5-dimethoxybenzene(cas: 74029-40-6Category: ethers-buliding-blocks)

1,4-Diethynyl-2,5-dimethoxybenzene(cas: 74029-40-6) belongs to ethers.The C-O bonds that comprise simple ethers are strong. Category: ethers-buliding-blocks They are unreactive toward all but the strongest bases. Although generally of low chemical reactivity, they are more reactive than alkanes.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

In 2015,Li, Daliang; Liu, Lin; Li, Wen-Hong published 《Genetic Targeting of a Small Fluorescent Zinc Indicator to Cell Surface for Monitoring Zinc Secretion》.ACS Chemical Biology published the findings.Computed Properties of C9H19NO4 The information in the text is summarized as follows:

Numerous mammalian cells contain Zn2+ in their secretory granules. During secretion, Zn2+ is coreleased with granular cargos into extracellular medium so Zn2+ serves as a convenient surrogate marker for tracking the dynamics of secretion. Fluorescent Zn2+ sensors that can be selectively targeted to cells of interest would be invaluable tools for imaging Zn2+ release in multicellular systems including tissues and live animals. Exploiting the HaloTag labeling technol. and using an optimized linker, the authors have engineered a fluorescent Zn2+ indicator that displayed a 15-fold fluorescence enhancement upon Zn2+ binding while reacting efficiently with a HaloTag enzyme in a cellular environment. Two-color imaging of ZIMIR-HaloTag and a red-emitting calcium indicator in pancreatic islet beta cells demonstrated that photoactivation of a channelrhodopsin was able to induce exocytosis of Zn2+/insulin granules and revealed heterogeneity in secretory activity along the cell membrane that was uncoupled from cellular Ca2+ activity. This integrated photonic approach for imaging and controlling the release of large dense core granules provides exquisite cellular selectivity and should facilitate future studies of stimulus-secretion coupling and paracrine signaling in secretory cells. In addition to this study using tert-Butyl (2-(2-hydroxyethoxy)ethyl)carbamate, there are many other studies that have used tert-Butyl (2-(2-hydroxyethoxy)ethyl)carbamate(cas: 139115-91-6Computed Properties of C9H19NO4) was used in this study.

tert-Butyl (2-(2-hydroxyethoxy)ethyl)carbamate(cas: 139115-91-6) belongs to ethers. Ethers lack the hydroxyl groups of alcohols. Without the strongly polarized O―H bond, ether molecules cannot engage in hydrogen bonding with each other. Computed Properties of C9H19NO4

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

In 2019,Inorganic Chemistry included an article by Zhang, Congcong; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.. Quality Control of 1,2-Diphenyldisulfane. The article was titled 《An Alkali-Metal Halide-Bridged Actinide Phosphinidiide Complex》. The information in the text is summarized as follows:

The salt metathesis reaction of the thorium Me chloride complex [η5-1,3-(Me3C)2C5H3]2Th(Cl)Me (3) with 2,4,6-(Me3C)3C6H2PHK in benzene furnishes an alkali-metal halide-bridged phosphinidiide actinide metallocene, {[η5-1,3-(Me3C)2C5H3]2Th(:P-2,4,6-tBu3C6H2)(ClK)}2 (4), whose structure and reactivity was investigated in detail. On the basis of d. functional theory (DFT) studies, the 5f orbitals in the model complex [η5-1,3-(Me3C)2C5H3]2Th(:P-2,4,6-tBu3C6H2) (4′) contribute significantly to the bonding of the phosphinidene Th:P(2,4,6-tBu3C6H2) moiety. Furthermore, compared to the related thorium imido complex, the bonds between the [η5-1,3-(Me3C)3C5H2]2Th2+ and [P-2,4,6-tBu3C6H2]2- fragments are more covalent. The reactivity of compound 4 toward alkynes and a variety of heterounsatd. mols. such as nitriles, isonitriles, carbodiimides, imines, isothiocyanates, aldehydes, ketones, thiazoles, quinolines, organic azides, pyridines, and imidazoles, forming metallacycles, phospholes, imidos, metallaheterocycles, sulfidos, oxidos, pinacolates, pseudophosphinimidos, and phosphidos, was comprehensively studied. Moreover, complex 4 reacts with elemental selenium and PhSSPh, yielding selenido and sulfido compounds, resp. DFT computations were performed to complement these exptl. investigations and to provide further insights. After reading the article, we found that the author used 1,2-Diphenyldisulfane(cas: 882-33-7Quality Control of 1,2-Diphenyldisulfane)

1,2-Diphenyldisulfane(cas: 882-33-7) belongs to ethers.Ethers do have nonbonding electron pairs on their oxygen atoms, and they can form hydrogen bonds with other molecules (alcohols, amines, etc.) that have O―H or N―H bonds. The ability to form hydrogen bonds with other compounds makes ethers particularly good solvents for a wide variety of organic compounds and a surprisingly large number of inorganic compounds.Quality Control of 1,2-Diphenyldisulfane

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

In 2019,Organic Communications included an article by Celik, Hulya; Kuzu, Muslum. Safety of 2-Methoxybenzaldehyde. The article was titled 《Microwave assisted synthesis of N-(methyl and methoxy)benzylidene-4-fluoroaniline derivatives and their carbonic anhydrase I and II inhibition properties》. The information in the text is summarized as follows:

In this study, few Schiff base derivatives I (R = 2-Me, 4-Me, 3-OMe, etc.) were synthesized from Me or methoxy substituted benzaldehydes and 4-fluoroaniline using a microwave method. Their inhibitory effects were studied on carbonic anhydrase isoenzymes (hCA I and II), purified from human erythrocyte cells by Sepharose-4B-L-tyrosine-sulfanilamide affinity chromatog. Among the synthesized compounds I (R = 3-Me, 4-Me, 2-OMe) showed moderate activity on hCA II in the range of IC50 values. The experimental part of the paper was very detailed, including the reaction process of 2-Methoxybenzaldehyde(cas: 135-02-4Safety of 2-Methoxybenzaldehyde)

2-Methoxybenzaldehyde(cas: 135-02-4) is used as a flavor agent in foods including nonalcoholic/alcoholic beverages, baked goods, chewing gum, confections, frozen dairy, fruit ices, hard/soft candy, instant coffee, tea, Jams, jellies, and milk products. It also has been used to obtain good enantioselectivities using Cu(OAc)(2)-bis(oxazolines) via hydrogen bonding in asymmetric Henry reaction.Safety of 2-Methoxybenzaldehyde

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

《Adapalene gel 0.1% vs ketoconazole cream 2% and their combination in treatment of pityriasis versicolor: A randomized clinical study》 was published in Dermatologic Therapy in 2020. These research results belong to Bakr, Essam; Abdo, Hamed; Abd-Elaziz, Hassan; Abd-Elrazek, Hazem; Amer, Mohamed. Name: 6-(3-(Adamantan-1-yl)-4-methoxyphenyl)-2-naphthoic acid The article mentions the following:

Pityriasis versicolor (PV) is a chronic superficial fungal infection. Management using azole drugs leads to drug resistance. The present study aimed to compare the clin. outcome of 0.1% adapalene gel vs 2% ketoconazole cream and their combination in PV. This randomized double-blinded study was conducted on 90 PV patients divided into three equal groups. Gl was treated with topical ketoconazole 2% cream twice daily and placebo, Gll was treated with topical 0.1% adapalene gel twice daily and placebo and Gill was treated with topical combination of 0.1% adapalene gel (at night) and ketoconazole 2% cream (in the morning). All patients received medications for 4 wk. Evaluation was done at 2 and 4 wk and included clin. assessment, laboratory assessment, and patient satisfaction. We found that after 4 wk of treatment, all groups showed significant improvement. There was better response in Gill in terms of lower rate of pos. potassium hydroxide staining, higher rate of significantly improved cases and higher rate of well-satisfied patients. However, the difference fell short of statistical significance. We concluded that a combination of adapalene gel and ketoconazole cream is very effective in treatment of PV with no or mild side effects. In addition to this study using 6-(3-(Adamantan-1-yl)-4-methoxyphenyl)-2-naphthoic acid, there are many other studies that have used 6-(3-(Adamantan-1-yl)-4-methoxyphenyl)-2-naphthoic acid(cas: 106685-40-9Name: 6-(3-(Adamantan-1-yl)-4-methoxyphenyl)-2-naphthoic acid) was used in this study.

6-(3-(Adamantan-1-yl)-4-methoxyphenyl)-2-naphthoic acid(cas:106685-40-9) may be used as a pharmaceutical reference standard for the quantification of the analyte in topical gel formulations using high-performance liquid chromatography technique.Name: 6-(3-(Adamantan-1-yl)-4-methoxyphenyl)-2-naphthoic acid

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

《Carbamates: A Directing Group for Selective C-H Amidation and Alkylation under Cp*Co(III) Catalysis》 was published in Organic Letters in 2020. These research results belong to Bera, Sourav Sekhar; Maji, Modhu Sudan. Quality Control of m-Methoxyphenol The article mentions the following:

The selective reactivity of carbamate and thiocarbamate toward alkylation and amidation corresponding alkyl-carbamates e.g., I and amidyl-thiocarbamates e.g., II to get was reported under stable, high-valent, cost-effective cobalt(III) catalysis. This method revealed the wide possibility of designing a different branch of synthetically challenging yet highly promising asym. catalysts based on BINOL and SPINOL scaffolds. Late-stage C-H functionalization of L-tyrosine and estrone was also achieved through this approach. The mechanistic study shows that a base-assisted internal electrophilic substitution mechanism is operative here. After reading the article, we found that the author used m-Methoxyphenol(cas: 150-19-6Quality Control of m-Methoxyphenol)

m-Methoxyphenol(cas: 150-19-6) may be used in synthesis of:C(4) symmetric calix[4]resorcinarene, 2-nitroso-5-methoxyphenol, 6-methoxy-2(3H)-benzoxazoloneQuality Control of m-Methoxyphenol

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

《Repurposing metocurine as main protease inhibitor to develop novel antiviral therapy for COVID-19》 was published in Structural Chemistry in 2020. These research results belong to Jain, Rashi; Mujwar, Somdutt. Application In Synthesis of 6-(3-(Adamantan-1-yl)-4-methoxyphenyl)-2-naphthoic acid The article mentions the following:

The outbreak of severe acute respiratory syndrome coronavirus-2 is causing a serious disaster through coronavirus disease-19 (COVID-19) around the globe. A large segment of the population from every corner of the world is already infected with this dreadful pathogen with a high mortality rate. These numbers are increasing drastically causing a situation of a global pandemic. Although after the continuous scientific efforts, we are still not having any specific drug or vaccine for the SARS-CoV-2 pathogen to date and there is an urgent need to develop a newer therapy to counter the COVID-19 global pandemic. Thus, in the current study, a framework for computational drug repurposing is established, and based on their safety profile, metocurine was chosen as a safe and effective drug candidate for developing therapy against the viral Mpro enzyme of SARS-CoV-2 for the treatment of COVID-19. The experimental part of the paper was very detailed, including the reaction process of 6-(3-(Adamantan-1-yl)-4-methoxyphenyl)-2-naphthoic acid(cas: 106685-40-9Application In Synthesis of 6-(3-(Adamantan-1-yl)-4-methoxyphenyl)-2-naphthoic acid)

6-(3-(Adamantan-1-yl)-4-methoxyphenyl)-2-naphthoic acid(cas:106685-40-9) is a third-generation synthetic retinoid and a highly lipophilic compound derived from naphthoic acid. It is widely used in the treatment of acne.Application In Synthesis of 6-(3-(Adamantan-1-yl)-4-methoxyphenyl)-2-naphthoic acid

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

《Derivatization of Perfluorocarboxylic Acids with N,N-Dimethylformamide Dimethylacetal Prior to GC-MS Analysis》 was published in Chromatographia in 2020. These research results belong to Strozynska, Monika; Schuhen, Katrin. Recommanded Product: N,N-Dimethylformamide Dimethyl Acetal The article mentions the following:

A simple derivatization reaction with N,N-dimethylformamide di-Me acetal (DMF-DMA) was developed for the anal. of perfluorocarboxylic acids (PFCA, C4-C12) in solid samples by gas chromatog.-mass spectrometry (GC-MS). After extraction with Me tert-Bu ether (MTBE), the samples are mixed with derivatizing agent and injected into GC. The derivatization reaction takes place in injection block forming corresponding N,N,N’,N’-tetramethyl diamines. The method provides excellent separation of nine PFCA (C4-C12) in 15 min and is characterized by good precision (maximum RSD = 6.21% for 10 ng/mL, n = 6), linearity and detection limits in the range of 0.15-0.38 ng/mL. The main aim of the study was to develop a quick and easy GC-MS screening for PFCA. The method was successfully applied for sewage sludge, textiles and dental flosses. To confirm the laboratory evaluation, two samples were measured by an external laboratory using LC-MS/MS and showed comparable results. The proposed method is very promising, taking into account its simplicity, mild conditions and application of cost-effective GC-MS system. Addnl., a comparison with two other derivatization methods for PFCA: reaction with N,O-bis(trimethylsilyl)trifluoroacetamide (BSTFA) and benzyl bromide is presented. After reading the article, we found that the author used N,N-Dimethylformamide Dimethyl Acetal(cas: 4637-24-5Recommanded Product: N,N-Dimethylformamide Dimethyl Acetal)

N,N-Dimethylformamide Dimethyl Acetal(cas: 4637-24-5) belongs to anime. The reaction of alkyl halides, R―X, where X is a halogen, or analogous reagents with ammonia (or amines) is useful with certain compounds. Not all alkyl halides are effective reagents; the reaction is sluggish with secondary alkyl groups and fails with tertiary ones. Its usefulness is largely confined to primary alkyl halides (those having two hydrogen atoms on the reacting site).Recommanded Product: N,N-Dimethylformamide Dimethyl Acetal

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

《Direct Access to Highly Enantioenriched α-Branched Acrylonitriles through a One-Pot Sequential Asymmetric Michael Addition/Retro-Dieckmann/Retro-Michael Fragmentation Cascade》 was written by Duchemin, Nicolas; Cattoen, Martin; Gayraud, Oscar; Anselmi, Silvia; Siddiq, Bilal; Buccafusca, Roberto; Daumas, Marc; Ferey, Vincent; Smietana, Michael; Arseniyadis, Stellios. Computed Properties of C9H10O2 And the article was included in Organic Letters in 2020. The article conveys some information:

A highly enantioselective synthesis of α-branched acrylonitriles is reported featuring a one-pot sequential asym. Michael addition/retro-Dieckmann/retro-Michael fragmentation cascade. The method, which relies on a solid, bench-stable, and com. available acrylonitrile surrogate, is practical, scalable, and highly versatile and provides a direct access to a wide range of enantioenriched nitrile-containing building blocks. Most importantly, the method offers a new tool to incorporate an acrylonitrile moiety in an asym. fashion. In addition to this study using 2-(Benzyloxy)acetaldehyde, there are many other studies that have used 2-(Benzyloxy)acetaldehyde(cas: 60656-87-3Computed Properties of C9H10O2) was used in this study.

2-(Benzyloxy)acetaldehyde(cas: 60656-87-3) is a non-natural aldehyde. It undergoes enantioselective Mukaiyama aldol reaction with silylketene acetal nucleophiles in the presence of C2-symmetric bis(oxazolinyl)pyridine Cu(II) complex (catalyst).Computed Properties of C9H10O2

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem