Tag: 0-100

《Direct Catalytic Decarboxylative Amination of Aryl Acetic Acids》 was published in Angewandte Chemie, International Edition in 2020. These research results belong to Kong, Duanyang; Moon, Patrick J.; Bsharat, Odey; Lundgren, Rylan J.. Recommanded Product: 4-Aminobutan-1-ol The article mentions the following:

The decarboxylative coupling of a carboxylic acid with an amine nucleophile provides an alternative to the substitution of traditional organohalide coupling partners. Benzoic and alkynyl acids may be directly aminated by oxidative catalysis. In contrast, methods for intermol. alkyl carboxylic acid to amine conversion, including amidate rearrangements and photoredox-promoted approaches, require stoichiometric activation of the acid unit to generate isocyanate or radical intermediates. Reported here is a process for the direct chemoselective decarboxylative amination of electron-poor arylacetates by oxidative Cu catalysis. The reaction proceeds at (or near) room temperature, uses native carboxylic acid starting materials, and is compatible with protic, electrophilic, and other potentially complicating functionality. Mechanistic studies support a pathway in which ionic decarboxylation of the acid generates a benzylic nucleophile which is aminated in a Chan-Evans-Lam-type process. After reading the article, we found that the author used 4-Aminobutan-1-ol(cas: 13325-10-5Recommanded Product: 4-Aminobutan-1-ol)

4-Aminobutan-1-ol(cas: 13325-10-5) is used in the synthesis of NSAIDs with anti-inflammatory properties. Also used in the synthesis of polyamine transport ligands with specificity against human cancers allowing easy access to specific cancer cells.Recommanded Product: 4-Aminobutan-1-ol

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Computed Properties of C3H6O2On June 11, 2020, Fredo Naciuk, Fabricio; do Nascimento Faria, Jessica; Goncalves Eufrasio, Amanda; Torres Cordeiro, Artur; Bruder, Marjorie published an article in ACS Medicinal Chemistry Letters. The article was 《Development of Selective Steroid Inhibitors for the Glucose-6-phosphate Dehydrogenase from Trypanosoma cruzi》. The article mentions the following:

Chagas disease is a parasitic infection affecting millions of people across Latin America, imposing a dramatic socioeconomic burden. Despite the availability of drugs nifurtimox and benznidazole, lack of efficacy and incidence of side-effects prompt the identification of novel, efficient, and affordable drug candidates. To address this issue, one strategy could be probing the susceptibility of Trypanosoma parasites toward NADP-dependent enzyme inhibitors. Recently, steroids of the androstane group have been described as highly potent but nonselective inhibitors of parasitic glucose-6-phosphate dehydrogenase (G6PDH). In order to promote selectivity, we have synthesized and evaluated 26 steroid derivatives of epiandrosterone, e.g., I, in enzymic assays, whereby 17 compounds were shown to display moderate to high selectivity for T. cruzi over the human G6PDH. In addition, three compounds were effective in killing intracellular T. cruzi forms infecting rat cardiomyocytes. Altogether, this study provides new SAR data around G6PDH and further supports this target for treating Chagas disease. In the part of experimental materials, we found many familiar compounds, such as (R)-Oxiran-2-ylmethanol(cas: 57044-25-4Computed Properties of C3H6O2)

(R)-Oxiran-2-ylmethanol(cas: 57044-25-4) is a chiral building block used to construct an epoxyvinyl iodide intermediate in a synthesis of a furanocembrane, a marine natural product.Computed Properties of C3H6O2

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《Synthesis of phosphatidic acids via cobalt(salen) catalyzed epoxide ring-opening with dibenzyl phosphate》 was published in Organic & Biomolecular Chemistry in 2022. These research results belong to Andringa, Ruben L. H.; Jonker, Marijn; Minnaard, Adriaan J.. Category: alcohols-buliding-blocks The article mentions the following:

With a CoIII(salen)OTs catalyst, dibenzyl phosphate ring-opens a variety of terminal epoxides with excellent regio-selectively and yields up to 85%. The reaction is used in a highly efficient synthesis of enantiopure mixed-diacyl phosphatidic acids, including a photoswitchable phosphatidic acid mimic. After reading the article, we found that the author used (R)-Oxiran-2-ylmethanol(cas: 57044-25-4Category: alcohols-buliding-blocks)

(R)-Oxiran-2-ylmethanol(cas: 57044-25-4) is a chiral building block used to construct an epoxyvinyl iodide intermediate in a synthesis of a furanocembrane, a marine natural product.Category: alcohols-buliding-blocks

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In 2022,Mouhsine, Bouchaib; Karim, Abdallah; Dumont, Clement; Saint Pol, Anthony; Suisse, Isabelle; Sauthier, Mathieu published an article in European Journal of Organic Chemistry. The title of the article was 《The Selective Nickel-Catalyzed N-Allylation of C3-Unprotected Indoles under Mild and Clean Conditions》.HPLC of Formula: 7748-36-9 The author mentioned the following in the article:

A simple salt free and selective N-allylation of indoles with allylic alcs. was developed. The protocol uses a catalytic amount of a nickel complex generated in situ from Ni(cod)2 and dppf as diphosphine. The use of DMSO as the reaction solvent was crucial to control the regioselectivity of the reaction with the exclusive formation of the N-allyl product among up to three possible products. The experimental part of the paper was very detailed, including the reaction process of Oxetan-3-ol(cas: 7748-36-9HPLC of Formula: 7748-36-9)

Oxetan-3-ol(cas: 7748-36-9) is used as a reagent in the synthesis of 5-fluoro-4,6-dialkoxypyrimidine GPR119 agonists. It is also used as a reagent in the synthesis of cyclic sulfone hydroxyethylamines as potent and selective β-site APP-cleaving enzyme 1 (BACE1) inhibitors.HPLC of Formula: 7748-36-9

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Hatefi, Nayyereh; Smith, William R. published an article in 2021. The article was titled 《Ideal-gas thermochemical properties for alkanolamine and related species involved in carbon-capture applications》, and you may find the article in Journal of Chemical & Engineering Data.SDS of cas: 13325-10-5 The information in the text is summarized as follows:

We calculated ideal-gas thermochem. properties (molar enthalpy, entropy, Gibbs energy, and heat capacity, Cp) for 30 primary and 12 secondary alkanolamines and their neutral, protonated, and carbamate forms, and for 7 tertiary alkanolamines and their protonated forms. The data, provided in a spreadsheet format in the Supporting Information document, are useful for the construction of both macroscopic and mol.-based thermodn. models of CO2-capture processes involving the indicated species. The calculations were implemented using a combination of Spartan18 and Gaussian16 electronic structure software using two typical high-order methods, G4 and G3B3, and for comparison, we also calculated results from the commonly used and less computationally expensive B3LYP/aug-cc-pVTZ method. Our calculation methodol. is validated by comparing results for a set of mols. for which literature data are available. The thermochem. data for each species over the temperature range 200-1500 K is given as a function of temperature in the form of NASA seven-term polynomial expressions, permitting the properties to be calculated over this temperature range. The accuracy of the G3B3 and G4 results is estimated to be 6 kJ·mol-1 for the species formation enthalpies, and the B3LYP/aug-cc-pVTZ results are generally of inferior quality. The results came from multiple reactions, including the reaction of 4-Aminobutan-1-ol(cas: 13325-10-5SDS of cas: 13325-10-5)

4-Aminobutan-1-ol(cas: 13325-10-5) is used in the synthesis of NSAIDs with anti-inflammatory properties. Also used in the synthesis of polyamine transport ligands with specificity against human cancers allowing easy access to specific cancer cells.SDS of cas: 13325-10-5

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Lisovskaya, Alexandra; Shadyro, Oleg; Schiemann, Olav; Carmichael, Ian published an article in 2021. The article was titled 《OH radical reactions with the hydrophilic component of sphingolipids》, and you may find the article in Physical Chemistry Chemical Physics.Safety of 2-Aminopropane-1,3-diol The information in the text is summarized as follows:

In this work, using the example of model compounds, we studied the reactions resulting from the interaction of OH radicals with the hydrophilic part of sphingolipids. We compared the stopped-flow EPR spectroscopy and pulse radiolysis with optical detection methods to characterize radical intermediates formed in the reaction of OH radicals with glycerol, serinol and N-boc-serinol. Quantum chem. calculations were also performed to help interpret the observed exptl. data. It was shown that H-abstraction from the terminal carbon atom is the main process that is realized for all the studied compounds The presence of the unsubstituted amino group (-NH2) is seen to completely change the reaction properties of serinol in comparison with those observed in glycerol and N-boc serinol. The results came from multiple reactions, including the reaction of 2-Aminopropane-1,3-diol(cas: 534-03-2Safety of 2-Aminopropane-1,3-diol)

2-Aminopropane-1,3-diol(cas: 534-03-2) belongs to anime. Amines have a free lone pair with which they can coordinate to metal centers. Amine–metal bonds are weaker because amines are incapable of backbonding, but they are still important for sensing applications.While stronger than hydrogen bonds, amine–metal bonds are still weaker than both covalent and ionic bonds.Safety of 2-Aminopropane-1,3-diol

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《Rhizobium rhizogenes mediated hairy root transformation and analysis of secondary metabolites in Phlogacanthus thyrsiflorus nees hairy roots using GC-MS》 was written by Singh, Shweta; Banerjee, Madhuparna; Kumar, Manish. Quality Control of 2-Aminopropane-1,3-diol And the article was included in Journal of Scientific & Industrial Research in 2020. The article conveys some information:

An efficient transformation system was developed for Phlogacanthus thyrsiflorus, a medicinal plant of northeast India, using Rhizobium rhizogenes strains A4 for infecting shoot tip, nodes and leaf explants derived from aseptically raised plants. The transformation frequency was found dependent on the explants as well as the co-culture periods. Highest transformation frequency of 95.69% was obtained from shoot tip explants co-cultured for 4 h. An average of 6.37 hairy roots per explant were obtained from shoot tip explants within three weeks of infection. Whereas, transformation frequency along with number of transformed roots were fewer in node and leaf explants. The presence of TL DNA of R. rhizogenes strains A4 in the hairy root genome of P. thyrsiflorus was confirmed through PCR based cloning and sequencing in which the sequencing results of the PCR amplicon confirmed the presence of rol b and rol c genes in the host genome. Sequence results for rol genes were found to be 97 percent and 99 percent similar with rol b and rol c gene present in NCBI database. GC-MS anal. of methanolic extract of the hairy roots reveals the presence of a few medicinally important secondary metabolites. In addition to this study using 2-Aminopropane-1,3-diol, there are many other studies that have used 2-Aminopropane-1,3-diol(cas: 534-03-2Quality Control of 2-Aminopropane-1,3-diol) was used in this study.

2-Aminopropane-1,3-diol(cas: 534-03-2) belongs to anime. The methylamines occur in small amounts in some plants. Many polyfunctional amines (i.e., those having other functional groups in the molecule) occur as alkaloids in plants—for example, mescaline, 2-(3,4,5-trimethoxyphenyl)ethylamine; the cyclic amines nicotine, atropine, morphine, and cocaine; and the quaternary salt choline, N-(2-hydroxyethyl)trimethylammonium chloride, which is present in nerve synapses and in plant and animal cells.Quality Control of 2-Aminopropane-1,3-diol

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《Design and synthesis of 7-azaindole derivatives and their antitumor and analgesic activities》 was published in Journal of the Chemical Society of Pakistan in 2020. These research results belong to Liu, Xue-Kun; Wang, Yan-Qiu; Zhao, Tong-Jian; Lu, Yuan-Hua; Zhao, Jia-Nan; Geng, Xiao-Yu; Ma, Jie. Computed Properties of C3H6O2 The article mentions the following:

To develop effective anti-tumor and analgesic drugs, a series of novel 7-azaindole derivatives I (R = COMe, COEt, SO2Me, etc.), II were designed and synthesized through a four-step reaction. Eighteen target compounds were obtained and characterized through NMR and High Resolution Mass Spectrometry. Their anti-proliferative activities and analgesic effect were evaluated. When the 1-position was a methylsulfonyl group and the 5-position was a nitro group, compound II (R = SO2Me) demonstrated the best activity and furthermore, there was a dramatic difference between the IC50 values of this compound in tumor and in healthy cell line. The IC50 values of the above compound in MCF7 breast cancer cell line was 5.781μmol/L and 8.077μmol/L in HepG2 hepatoma carcinoma cell line, but more than 100μmol/L in HL7702 liver cell line. Preliminary results showed that compounds I (R = COMe, 3,5-(F)2SO2C6H3), II (R = SO2Ph) had significant analgesic effects in mice, which were stronger than aspirin. These compounds have good prospects for new drug development. The experimental part of the paper was very detailed, including the reaction process of Oxetan-3-ol(cas: 7748-36-9Computed Properties of C3H6O2)

Oxetan-3-ol(cas: 7748-36-9) is used as a reagent in the synthesis of 5-fluoro-4,6-dialkoxypyrimidine GPR119 agonists. It is also used as a reagent in the synthesis of cyclic sulfone hydroxyethylamines as potent and selective β-site APP-cleaving enzyme 1 (BACE1) inhibitors.Computed Properties of C3H6O2

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Recommanded Product: (R)-Oxiran-2-ylmethanolOn May 15, 2019 ,《Potassium channel blocking 1,2-bis(aryl)ethane-1,2-diamines active as antiarrhythmic agents》 appeared in Bioorganic & Medicinal Chemistry Letters. The author of the article were Kajanus, Johan; Antonsson, Thomas; Carlsson, Leif; Jurva, Ulrik; Pettersen, Anna; Sundell, Johan; Inghardt, Tord. The article conveys some information:

Herein, synthesis and optimization of a novel series of 1,2-diarylethane-1,2-diamines with selectivity for Kv1.5 over other potassium ion channels is presented. The effective refractory period in the right atrium (RAERP) in a rabbit PD model was investigated for a selection of potent and selective compounds with balanced DMPK properties. The most advanced compound I showed nanomolar potency in blocking Kv1.5 in human atrial myocytes and based on the PD data, the estimated dose to man is 700 mg/day. As previously reported, compound I efficiently converted AF to sinus rhythm in a dog disease model. The experimental process involved the reaction of (R)-Oxiran-2-ylmethanol(cas: 57044-25-4Recommanded Product: (R)-Oxiran-2-ylmethanol)

(R)-Oxiran-2-ylmethanol(cas: 57044-25-4) is a chiral building block used to construct an epoxyvinyl iodide intermediate in a synthesis of a furanocembrane, a marine natural product.Recommanded Product: (R)-Oxiran-2-ylmethanol

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Synthetic Route of C3H6O2On September 8, 2022 ,《Biological Effects of Modifications of the Englerin A Glycolate》 was published in ACS Medicinal Chemistry Letters. The article was written by Seenadera, Sarath P. D.; Long, Sarah A.; Akee, Rhone; Bermudez, Gabriela; Parsonage, Gregory; Strope, Jonathan; Peer, Cody; Figg, W. Douglas; Parker, Kathlyn A.; Beech, David J.; Beutler, John A.. The article contains the following contents:

Modifications at the glycolate moiety of englerin A were made to explore variations at the most sensitive site on the mol. for activity in the NCI 60 screen, wherein englerin A is highly potent and selective for renal cancer cells. Replacement of the glycolate by other functionalities as well as esterification of the glycolate hydroxyl yielded compounds which displayed excellent selectivity and potency compared with the natural product. TRPC4/5 ion channel experiments with five compounds showed delayed or reduced agonism with TRPC5, at much higher concentrations than englerin A. With TRPC4, these compounds all had no effect at 10 μM. The same compounds were not detectable in mouse serum after a single oral dose of 12.5 mg/kg. At 100 mg/kg p.o., no toxicity was observed, and blood levels were barely detectable. I.v. administration led to toxicity but at substantially lower doses than for englerin A.(R)-Oxiran-2-ylmethanol(cas: 57044-25-4Synthetic Route of C3H6O2) was used in this study.

(R)-Oxiran-2-ylmethanol(cas: 57044-25-4) is a chiral building block used to construct an epoxyvinyl iodide intermediate in a synthesis of a furanocembrane, a marine natural product.Synthetic Route of C3H6O2

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