Category: 638-07-3

Steglich′s Base Catalyzed Three-Component Synthesis of Isoxazol-5-Ones was written by Faramarzi, Zeinab;Kiyani, Hamzeh. And the article was included in Polycyclic Aromatic Compounds.Safety of Ethyl 4-chloro-3-oxobutanoate The following contents are mentioned in the article:

4-(Dimethylamino)pyridine (DMAP) was used as an efficient Bronsted organo-base catalyst for the one-pot, three-component cyclization of various aldehydes, β-keto esters and hydroxylamine hydrochloride. In this organocatalyzed reaction, 3,4-disubstituted isoxazole-5(4H)-ones were efficiently formed in high yields and relatively shorter reaction times. Using 8 mol% of DMAP, a mixture of water-ethanol solvent system and 80 °C gave the best results. The three-component heterocyclization using arylaldehydes containing electron releasing groups was well performed and heterocyclic products were obtained in good to high isolated yields. Aldehydes with electron withdrawing groups did not lead to the formation of products. This method has many advantages such as broad substituent scope, mild and eco-friendly conditions, step and atom economy, com. available and inexpensive organo-basic catalyst. This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3Safety of Ethyl 4-chloro-3-oxobutanoate).

Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3) belongs to organic chlorides. Organic chlorides can cause corrosion in pipelines, valves and condensers, and cause catalyst poisoning. The hydrocarbon processing industry (HPI) and others are affected by damage caused by these substances. Alkyl chlorides readily react with amines to give substituted amines. Alkyl chlorides are substituted by softer halides such as the iodide in the Finkelstein reaction.Safety of Ethyl 4-chloro-3-oxobutanoate

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Novel Quinolinyl-pyrrolo[3,4-d]pyrimidine-2,5-dione Derivatives Against Chloroquine-resistant Plasmodium falciparum was written by Rogerio, Kamilla Rodrigues;Graebin, Cedric Stephan;Pinto Domingues, Luiza Helena;Oliveira, Luana Santos;Fernandes da Silva, Vitoria de Souza;Daniel-Ribeiro, Claudio Tadeu;Carvalho, Leonardo J. M.;Boechat, Nubia. And the article was included in Current Topics in Medicinal Chemistry in 2020.Reference of 638-07-3 The following contents are mentioned in the article:

In this work DHPMs were combined with the quinoline nucleus to obtain new quinolinyl-pyrrolo[3,4-d]pyrimidine-2,5-dione compounds I (R = H, 4-OMe, 4-Cl, etc.; n = 1, 2) with improved antiplasmodial activity as well as decreased cytotoxicity. Nineteen quinolinyl-pyrrolo[3,4-d]pyrimidine-2,5-dione derivatives connected by a linker group to quinoline ring moieties with different substituents were synthesized and assayed against chloroquine-resistant Plasmodium falciparum, along with the reference drug chloroquine. The derivative without substituents on the aromatic ring I (R = H; n = 1) and the compound I (R = 4-Cl; n = 1) provided the best results, with IC₅₀ = 1.15μM and 1.5μM, resp. Compared to the parent drugs, these compounds presented marked decreases in cytotoxicity, with MDL₅₀ values over 1,000μM and selectivity indexes of >869.5 and >666.6, resp. This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3Reference of 638-07-3).

Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3) belongs to organic chlorides. Organic chlorides are compounds containing a carbon-chlorine bond, which are widely used in the oil field as a wax dissolver. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.Reference of 638-07-3

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Structure-guided discovery of selective methionyl-tRNA synthetase inhibitors with potent activity against Trypanosoma brucei was written by Zhang, Zhongsheng;Barros-Alvarez, Ximena;Gillespie, J. Robert;Ranade, Ranae M.;Huang, Wenlin;Shibata, Sayaka;Molasky, Nora M. R.;Faghih, Omeed;Mushtaq, Aisha;Choy, Robert K. M.;de Hostos, Eugenio;Hol, Wim G. J.;Verlinde, Christophe L. M. J.;Buckner, Frederick S.;Fan, Erkang. And the article was included in RSC Medicinal Chemistry in 2020.COA of Formula: C6H9ClO3 The following contents are mentioned in the article:

Based on crystal structures of Trypanosoma brucei methionyl-tRNA synthetase (TbMetRS) bound to inhibitors, we designed, synthesized, and evaluated two series of novel TbMetRS inhibitors targeting this parasite enzyme. One series has a 1,3-dihydro-imidazol-2-one containing linker, the other has a rigid fused aromatic ring in the linker. For both series of compounds, potent inhibition of parasite growth was achieved with EC₅₀ < 10 nM and most compounds exhibited low general toxicity to mammalian cells with CC₅₀s > 20 000 nM. Selectivity over human mitochondrial methionyl tRNA synthetase was also evaluated, using a cell-based mitochondrial protein synthesis assay, and selectivity in a range of 20-200-fold was achieved. The inhibitors exhibited poor permeability across the blood brain barrier, necessitating future efforts to optimize the compounds for use in late stage human African trypanosomiasis. This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3COA of Formula: C6H9ClO3).

Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3) belongs to organic chlorides. Chlorinated organic compounds are found in nearly every class of biomolecules and natural products including alkaloids, terpenes, amino acids, flavonoids, steroids, and fatty acids. Organochlorine compounds are lipophylic, meaning they are more soluble in fat than in water. This gives them a high tenancy to accumulate in the food chain (biomagnification).COA of Formula: C6H9ClO3

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Tandem Reaction of 4-Halo-1,3-Dicarbonyl Compounds with Alkynes towards 4-Vinyl-3(2H)-Furanones and 3(2H)-Furanone fused 2-Pyridones was written by Omanakuttan, Vishnu K.;Santhini, P. V.;Shaludheen, S.;Varughese, Sunil;Hopf, Henning;John, Jubi. And the article was included in Asian Journal of Organic Chemistry in 2022.Related Products of 638-07-3 The following contents are mentioned in the article:

A facile synthetic route of 4-vinyl-3(2H)-furanones I [R¹ = OMe, OEt, OtBu, Ph; R² = H, C(O)Ph, CO₂Me, CO₂tBu; R³ = H, Me; R⁴ = H, Me, Br; R⁵ = OMe, OEt, Ph] via tandem Michael addition and intramol. cyclization from the reaction of 4-halo-1,3-dicarbonyl compounds and alkynes was reported. The formation of a side-product (regioisomer) by a stepwise [2+2] cycloaddition between enolate (of the 4-halo-1,3-dicarbonyl compound) and activated alkyne followed by a sequential 4π-ring opening and an intramol. cyclization was also noted. Another interesting observation was the formation of 3(2H)-furanone fused 2-pyridone II [R⁶ = Me, Et; R⁷ = Ph, Bn, 4-MeC₆H₄, etc.] from the reaction of 4-bromo-3-oxo-N-alkyl(aryl)butanamides and activated alkynes with satisfactory to good yields. This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3Related Products of 638-07-3).

Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3) belongs to organic chlorides. Organic chlorides are compounds containing a carbon-chlorine bond, which are widely used in the oil field as a wax dissolver. Alkanes and aryl alkanes may be chlorinated under free radical conditions, with UV light. However, the extent of chlorination is difficult to control.Related Products of 638-07-3

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Converting the 3-quinuclidinone reductase from Agrobacterium tumefaciens into the ethyl 4-chloroacetoacetate reductase by site-directed mutagenesis was written by Liu, Di;Gou, Linbo;Bai, Yajun;Fan, Tai-Ping;Zheng, Xiaohui;Cai, Yujie. And the article was included in Biotechnology and Applied Biochemistry in 2022.Synthetic Route of C6H9ClO3 The following contents are mentioned in the article:

In this study, the 3-quinuclidinone reductase from Agrobacterium tumefaciens (AtQR) was modified by site-directed mutagenesis. And we further obtained a saturation mutant library in which the residue 197 was mutated. A single-point mutation converted the wild enzyme that originally had no catalytic activity in reduction of Et 4-chloroacetoacetate (COBE) into an enzyme with catalytic activity. The results of enzyme activity assays showed that the seven variants could asym. reduce COBE to Et (S)-4-chloro-3-hydroxybutyrate ((S)-CHBE) with NADH as coenzyme. In the library, the variant E197N showed higher catalytic efficiency than others. The E197N was optimally active at pH 6.0 and 40°C, and the catalytic efficiency (k_cat/K_m) for COBE was 51.36 s^-1·mM^-1. This study showed that the substrate specificity of AtQR could be changed through site-directed mutagenesis at the residue 197. This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3Synthetic Route of C6H9ClO3).

Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3) belongs to organic chlorides. Chlorination modifies the physical properties of hydrocarbons in several ways. These compounds are typically denser than water due to the higher atomic weight of chlorine versus hydrogen. Aryl chlorides may be prepared by the Friedel-Crafts halogenation, using chlorine and a Lewis acid catalyst.Synthetic Route of C6H9ClO3

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Sequential condensation/biannulation reactions of β-(2-aminophenyl)-α,β-ynones with 1,3-dicarbonyls was written by Marsicano, Vincenzo;Arcadi, Antonio;Chiarini, Marco;Fabrizi, Giancarlo;Goggiamani, Antonella;Iazzetti, Antonia. And the article was included in Organic & Biomolecular Chemistry in 2021.Reference of 638-07-3 The following contents are mentioned in the article:

A divergent domino condensation/biannulation reaction of β-(2-aminophenyl) α,β-ynones with 1,3-dicarbonyls to construct a polycyclic 4H-pyrano[3,4-c]quinoline core was developed. The p-TsOH·H₂O catalyzed reaction of β-(2-aminophenyl) α,β-ynones with β-ketoesters in ethanol proceeded with good to excellent yields to provide a simple and effective method for the synthesis of functionalized 4H-pyrano[3,4-c]quinolinones. Further elaboration of these latter derivatives with an excess of 20% NH₄OH in EtOH at 50°C helped to achieve the synthesis of the perlodinine analogs benzo[c][2,7]naphthyridin-4(3H)-one derivatives in high yields. Moreover, the p-TsOH·H₂O mediated reaction of β-(2-aminophenyl) α,β-ynones with β-di-ketones led to the formation of a variety of structurally diverse 4H-pyrano[3,4-c]quinoline polycyclic ketals by the incorporation of an alc. solvent mol. in a cascade fashion. This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3Reference of 638-07-3).

Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3) belongs to organic chlorides. An organic chloride is an organic compound containing at least one covalently bonded atom of chlorine. Their wide structural variety and divergent chemical properties lead to a broad range of names and applications. Alkyl chlorides readily react with amines to give substituted amines. Alkyl chlorides are substituted by softer halides such as the iodide in the Finkelstein reaction.Reference of 638-07-3

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Reinforcing the supply chain of umifenovir and other antiviral drugs with retrosynthetic software was written by Lin, Yingfu;Zhang, Zirong;Mahjour, Babak;Wang, Di;Zhang, Rui;Shim, Eunjae;McGrath, Andrew;Shen, Yuning;Brugger, Nadia;Turnbull, Rachel;Trice, Sarah;Jasty, Shashi;Cernak, Tim. And the article was included in Nature Communications in 2021.Category: chlorides-buliding-blocks The following contents are mentioned in the article:

The global disruption caused by the 2020 coronavirus pandemic stressed the supply chain of many products, including pharmaceuticals. Multiple drug repurposing studies for COVID-19 are now underway. If a winning therapeutic emerges, it is unlikely that the existing inventory of the medicine, or even the chem. raw materials needed to synthesize it, will be available in the quantities required. Here, we utilize retrosynthetic software to arrive at alternate chem. supply chains for the antiviral drug umifenovir, as well as eleven other antiviral and anti-inflammatory drugs. We have exptl. validated four routes to umifenovir and one route to bromhexine. In one route to umifenovir the software invokes conversion of six C-H bonds into C-C bonds or functional groups. The strategy we apply of excluding known starting materials from search results can be used to identify distinct starting materials, for instance to relieve stress on existing supply chains. This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3Category: chlorides-buliding-blocks).

Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3) belongs to organic chlorides. Organochlorines stimulate the central nervous system and cause convulsions, tremor, nausea, and mental confusion. Examples are dichlorodiphenyltrichloroethane (DDT), chlordane, lindane, endosulfan, and dieldrin.While alkyl bromides and iodides are more reactive, alkyl chlorides tend to be less expensive and more readily available. Alkyl chlorides readily undergo attack by nucleophiles.Category: chlorides-buliding-blocks

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Synthesis and Biological Evaluation of the Southern Hemisphere of Spirastrellolide A and Analogues was written by Manda, Jagadeesh Nagendra;Butler, Barry B. Jr;Aponick, Aaron. And the article was included in Journal of Organic Chemistry in 2020.Computed Properties of C6H9ClO3 The following contents are mentioned in the article:

The synthesis and biol. evaluation of truncated spirastrellolide A analogs comprised of the southern hemisphere against protein phosphatase 2A are described. A convergent synthesis was designed featuring two gold-catalyzed cyclization reactions, specifically, a dehydrative cyclization of monoallylic diols for the synthesis of the tetrahydropyran (A-ring) and a regioselective spiroketalization for the efficient generation of the [6,6]-spiroketal (B, C-ring system). The synthesis of the southern hemisphere of spirastrellolide A was achieved involving the longest linear sequence of 19 steps. A total of eight spirastrellolide A analogs were synthesized, and preliminary PP2A enzyme assay inhibition studies were performed for the first time on analogs of the southern hemisphere. Several analogs showed inhibition, which is a pos. indication and perhaps suggests that the unsaturated spiroketal fragment might be crucial to induce PP2A inhibition. This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3Computed Properties of C6H9ClO3).

Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3) belongs to organic chlorides. Organochlorines stimulate the central nervous system and cause convulsions, tremor, nausea, and mental confusion. Examples are dichlorodiphenyltrichloroethane (DDT), chlordane, lindane, endosulfan, and dieldrin. Organochlorine compounds are lipophylic, meaning they are more soluble in fat than in water. This gives them a high tenancy to accumulate in the food chain (biomagnification).Computed Properties of C6H9ClO3

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Discovery of 2-(Imidazo[1,2-b]pyridazin-2-yl)acetic acid as a new class of ligands selective for the γ-hydroxybutyric acid (GHB) high-affinity binding sites was written by Krall, Jacob;Bavo, Francesco;Falk-Petersen, Christina B.;Jensen, Claus H.;Nielsen, Julie O.;Tian, Yongsong;Anglani, Valeria;Kongstad, Kenneth T.;Piilgaard, Louise;Nielsen, Birgitte;Gloriam, David E.;Kehler, Jan;Jensen, Anders A.;Harpsoee, Kasper;Wellendorph, Petrine;Froelund, Bente. And the article was included in Journal of Medicinal Chemistry in 2019.Application of 638-07-3 The following contents are mentioned in the article:

Gabazine, a γ-aminobutyric acid type A (GABA_A) receptor antagonist, has previously been reported to inhibit the binding of [³H]NCS-382, a representative ligand of the high-affinity binding site for the neuroactive substance γ-hydroxybutyric acid (GHB). We herein report a study on the structural determinants of gabazine for binding to (i) the orthosteric binding site of the GABA_A receptor and (ii) the high-affinity GHB binding site. Expanding the structural diversity of available ligands for the high-affinity GHB binding sites, this study identified 2-(imidazo[1,2-b]pyridazin-2-yl)acetic acid as a novel ligand-scaffold leading to analogs with relatively high affinity (K_i 0.19-2.19 μM) and >50 times selectivity for the [³H]NCS-382 over [³H]muscimol binding sites. These results highlight that gabazine interacts with the high-affinity GHB and orthosteric GABA_A receptor binding sites differently and that distinct analogs can be generated to select between them. To facilitate further in vivo studies, a promising prodrug candidate for brain delivery was identified. This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3Application of 638-07-3).

Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3) belongs to organic chlorides. Organic chlorides are compounds containing a carbon-chlorine bond, which are widely used in the oil field as a wax dissolver. While alkyl bromides and iodides are more reactive, alkyl chlorides tend to be less expensive and more readily available. Alkyl chlorides readily undergo attack by nucleophiles.Application of 638-07-3

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Morphogenesis Guided by 3D Patterning of Growth Factors in Biological Matrices was written by Broguiere, Nicolas;Luechtefeld, Ines;Trachsel, Lucca;Mazunin, Dmitry;Rizzo, Riccardo;Bode, Jeffrey W.;Lutolf, Matthias P.;Zenobi-Wong, Marcy. And the article was included in Advanced Materials (Weinheim, Germany) in 2020.Recommanded Product: 638-07-3 The following contents are mentioned in the article:

Three-dimensional (3D) control over the placement of bioactive cues is fundamental to understand cell guidance and develop engineered tissues. Two-photon patterning (2PP) provides such placement at micro- to millimeter scale, but nonspecific interactions between proteins and functionalized extracellular matrixes (ECMs) restrict its use. Here, a 2PP system based on nonfouling hydrophilic photocages and Sortase A (SA)-based enzymic coupling is presented, which offers unprecedented orthogonality and signal-to-noise ratio in both inert hydrogels and complex mammalian matrixes. Improved photocaged peptide synthesis and protein functionalization protocols with broad applicability are introduced. Importantly, the method enables 2PP in a single step in the presence of fragile biomols. and cells, and is compatible with time-controlled growth factor presentation. As a corollary, the guidance of axons through 3D-patterned nerve growth factor (NGF) within brain-mimetic ECMs is demonstrated. The approach allows for the interrogation of the role of complex signaling mols. in 3D matrixes, thus helping to better understand biol. guidance in tissue development and regeneration. This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3Recommanded Product: 638-07-3).

Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3) belongs to organic chlorides. Chlorinated organic compounds are found in nearly every class of biomolecules and natural products including alkaloids, terpenes, amino acids, flavonoids, steroids, and fatty acids. Alkyl chlorides are versatile building blocks in organic chemistry. While alkyl bromides and iodides are more reactive, alkyl chlorides tend to be less expensive and more readily available.Recommanded Product: 638-07-3

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics