Tag: M.W=100-150

Chuchani, Gabriel published the artcileThe pyrolysis kinetics of ethyl esters in the gas phase. The alkyl substituent effect at the acyl carbon, Name: Ethyltert-butylacetate, the publication is International Journal of Chemical Kinetics (1983), 15(5), 455-9, database is CAplus.

The gas-phase elimination of Et 3-methylbutanoate and Et 3,3-dimethylbutanoate was studied, in a static system, at 360-420° and 71-286 torr. The reactions are homogeneous, unimol., and follow a 1st-order rate law. The temperature dependence of the rate coefficient were determined from the Arrhenius equations. Alkyl substituents at the acyl carbon of Et esters yield very close values in rates. Consequently it is rather difficult to offer some conclusion concerning the effect of these substituents.

International Journal of Chemical Kinetics published new progress about 5340-78-3. 5340-78-3 belongs to esters-buliding-blocks, auxiliary class Aliphatic Chain, name is Ethyltert-butylacetate, and the molecular formula is C8H16O2, Name: Ethyltert-butylacetate.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Kalhapure, Vijay published the artcileSynthesis of Substituted imidazo[1,5-a]pyrimidine-2-(1H)-one Core Structure, Product Details of C6H10O3, the publication is Current Organic Synthesis (2020), 17(1), 23-28, database is CAplus and MEDLINE.

Simple transformation starting from amino acetonitrile hydrochloride led to the synthesis of two different regio-isomers of imidazopyrimidinones I [R = H Ph; R1 = Me, Et, Ph; X = CH, N; Y = CH, N].

Current Organic Synthesis published new progress about 30414-53-0. 30414-53-0 belongs to esters-buliding-blocks, auxiliary class Aliphatic hydrocarbon chain,Ketone,Ester, name is Methyl 3-oxovalerate, and the molecular formula is C6H10O3, Product Details of C6H10O3.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Das, Sanjib Kumar published the artcileIdentification of phytocompounds from Houttuynia cordata Thunb. as potential inhibitors for SARS-CoV-2 replication proteins through GC-MS/LC-MS characterization, molecular docking and molecular dynamics simulation, Application In Synthesis of 624-49-7, the publication is Molecular Diversity (2022), 26(1), 365-388, database is CAplus and MEDLINE.

The COVID-19 pandemic caused by Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) is a massive viral disease outbreak of international concerns. The present study is mainly intended to identify the bioactive phytocompounds from traditional antiviral herb Houttuynia cordata Thunb. as potential inhibitors for three main replication proteins of SARS-CoV-2, namely Main protease (Mpro), Papain-Like protease (PLpro) and ADP ribose phosphatase (ADRP) which control the replication process. A total of 177 phytocompounds were characterized from H. cordata using GC-MS/LC-MS and they were docked against three SARS-CoV-2 proteins (receptors), namely Mpro, PLpro and ADRP using Epic, LigPrep and Glide module of Schrodinger suite 2020-3. During docking studies, phytocompounds (ligand) 6-Hydroxyondansetron (A104) have demonstrated strong binding affinity toward receptors Mpro (PDB ID 6LU7) and PLpro (PDB ID 7JRN) with G-score of – 7.274 and – 5.672, resp., while Quercitrin (A166) also showed strong binding affinity toward ADRP (PDB ID 6W02) with G-score -6.788. Mol. Dynamics Simulation (MDS) performed using Desmond module of Schrodinger suite 2020-3 has demonstrated better stability in the ligand-receptor complexes A104-6LU7 and A166-6W02 within 100 ns than the A104-7JRN complex. The ADME-Tox study performed using SwissADMEserver for pharmacokinetics of the selected phytocompounds 6-Hydroxyondansetron (A104) and Quercitrin (A166) demonstrated that 6-Hydroxyondansetron passes all the required drug discovery rules which can potentially inhibit Mpro and PLpro of SARS-CoV-2 without causing toxicity while Quercitrin demonstrated less drug-like properties but also demonstrated as potential inhibitor for ADRP. Present findings confer opportunities for 6-Hydroxyondansetron and Quercitrin to be developed as new therapeutic drug against COVID-19.

Molecular Diversity published new progress about 624-49-7. 624-49-7 belongs to esters-buliding-blocks, auxiliary class Inhibitor,Natural product, name is Dimethyl fumarate, and the molecular formula is C6H8O4, Application In Synthesis of 624-49-7.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Reetz, Manfred T. published the artcileGeneral synthesis of active antiviral α-adamantyl carbonyl compounds, Safety of Ethyltert-butylacetate, the publication is Angewandte Chemie (1979), 91(1), 78-9, database is CAplus.

Silyl enol ethers R¹(Me₃SiO)C:CR²R³ [R¹ = MeO, Et, Me₂CH, EtO, Me₃C, R² = H, Me, Et, Me₃C, R¹R² = (CH₂)_n (n = 3, 4, 6), (CH₂)₂CHMeCH₂; R³ = H, Me] and 1-(trimethylsilyloxy)-4-methyl-3,4-dihydronaphthalene, easily obtained from R¹COCHR²R³ and Me₃SiCl, reacted with 1-bromoadamantane and TiCl₄ at -40 to -50° to give 62-89% α-adamantyl ketones I, useful as virucides. I (R¹R² = CH₂CH₂CHMeCH₂, R³ = H) was 3 times as active against the virus of Newcastle disease as 1-aminoadamantane, but only half as toxic.

Angewandte Chemie published new progress about 5340-78-3. 5340-78-3 belongs to esters-buliding-blocks, auxiliary class Aliphatic Chain, name is Ethyltert-butylacetate, and the molecular formula is C8H16O2, Safety of Ethyltert-butylacetate.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Al-Saleh, Balkis published the artcileStudies with functionally substituted enamines: the reactivity of enaminals and enamino esters toward naphthoquinone, hydrazonoyl halides, aminoazoles and hippuric acid, Application of Ethyl 3-(dimethylamino)acrylate, the publication is Synthesis (2006), 59-62, database is CAplus.

Whereas enamines react with naphthoquinone to yield naphthofuran (i.e., naphtho[1,2-b]furan) aldehyde and carboxylic acid ester derivatives, enamine ester react with naphthoquinone to yield benzindole derivatives Et 3-(dimethylamino)-2-propenoate reacts with hydrazonoyl halides to yield 3,4-disubstituted pyrazole derivatives On the other hand, and enaminal, 3-(dimethylamino)-2-propenal, failed to react with hydrazonoyl halides, while an enamine ester, Et 3-(anilino)acrylate, afforded a hydrazone derivative on treatment with hydrazonoyl halide. An enamino ester, Et 3-(dimethylamino)-2-propenoate, afforded tri-Et 1,3,5-benzenetricarboxylic acid esters on refluxing in acetic acid.

Synthesis published new progress about 924-99-2. 924-99-2 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Amine,Aliphatic hydrocarbon chain,Ester, name is Ethyl 3-(dimethylamino)acrylate, and the molecular formula is C7H13NO2, Application of Ethyl 3-(dimethylamino)acrylate.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Gabriele, Bartolo published the artcileAn Iodocyclization Approach to Substituted 3-Iodothiophenes, Safety of Ethyl 2-mercaptopropanoate, the publication is Journal of Organic Chemistry (2012), 77(17), 7640-7645, database is CAplus and MEDLINE.

A novel approach to 3-iodothiophenes by direct iodocyclization of alkynylthiol derivatives is presented. A variety of 1-mercapto-3-yn-2-ols (readily available from alkynylation of the corresponding alpha-mercapto ketones or alpha-mercapto esters) were smoothly converted into the corresponding 3-iodothiophene derivatives in good yields by reaction with mol. iodine in the presence of NaHCO₃ at room temperature in MeCN as the solvent.

Journal of Organic Chemistry published new progress about 19788-49-9. 19788-49-9 belongs to esters-buliding-blocks, auxiliary class Thiol,Aliphatic hydrocarbon chain,Ester, name is Ethyl 2-mercaptopropanoate, and the molecular formula is C5H10O2S, Safety of Ethyl 2-mercaptopropanoate.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Gabriele, Bartolo published the artcileSynthesis of Substituted Thiophenes by Palladium-Catalyzed Heterocyclodehydration of 1-Mercapto-3-yn-2-ols in Conventional and Nonconventional Solvents, Product Details of C5H10O2S, the publication is Journal of Organic Chemistry (2012), 77(21), 9905-9909, database is CAplus and MEDLINE.

A variety of readily available 1-mercapto-3-yn-2-ols were conveniently converted into the corresponding thiophenes in good to high yields in MeOH as the solvent at 50-100 °C in the presence of catalytic amounts (1-2%) of PdI₂ in conjunction with KI (KI:PdI₂ molar ratio = 10). The catalyst could be made recyclable employing an ionic liquid, such as BmimBF₄, as the solvent under suitable conditions.

Journal of Organic Chemistry published new progress about 19788-49-9. 19788-49-9 belongs to esters-buliding-blocks, auxiliary class Thiol,Aliphatic hydrocarbon chain,Ester, name is Ethyl 2-mercaptopropanoate, and the molecular formula is C5H10O2S, Product Details of C5H10O2S.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Yu, Eric published the artcileHigh-yielding continuous-flow synthesis of antimalarial drug hydroxychloroquine, COA of Formula: C6H8O3, the publication is Beilstein Journal of Organic Chemistry (2018), 583-592, database is CAplus and MEDLINE.

Numerous synthetic methods for the continuous preparation of fine chems. and active pharmaceutical ingredients (API’s) have been reported in recent years resulting in a dramatic improvement in process efficiencies. Herein authors report a highly efficient continuous synthesis of the antimalarial drug hydroxychloroquine (HCQ). Key improvements in the new process include the elimination of protecting groups with an overall yield improvement of 52% over the current com. process. The continuous process employs a combination of packed bed reactors with continuous stirred tank reactors for the direct conversion of the starting materials to the product. This high-yielding, multigram-scale continuous synthesis provides an opportunity to achieve increase global access to hydroxychloroquine for treatment of malaria.

Beilstein Journal of Organic Chemistry published new progress about 517-23-7. 517-23-7 belongs to esters-buliding-blocks, auxiliary class Tetrahydrofuran,Ketone,Ester, name is 3-Acetyldihydrofuran-2(3H)-one, and the molecular formula is C9H5ClO2, COA of Formula: C6H8O3.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Ma, Cong-Xuan published the artcileDesign, synthesis and structure-activity relationships of novel macrolones: Hybrids of 2-fluoro 9-oxime ketolides and carbamoyl quinolones with highly improved activity against resistant pathogens, Product Details of C7H13NO2, the publication is European Journal of Medicinal Chemistry (2019), 1-20, database is CAplus and MEDLINE.

Constitutively erythromycin-resistant apathogens are more difficult to address than inducible resistant and efflux-resistant strains. Three series of the 4th generation 2-fluoro 9-oxime erythromycin ketolides were synthesized and evaluated. Incorporation of substituted heteroaryl groups, in contrast to previously reported the unsubstituted heteroaryl groups, proved to the beneficial for enhancement of the activities of the 9-propargyl ketolide 8 series and the 9-allyl ketolide 14 series. Structure-activity relationships and mol. modeling indicated that some title compounds may have different binding sites compared to current erythromycins. These findings pave the way for rational design of novel non-telithromycin macrolides that target new binding sites within bacterial ribosomes.

European Journal of Medicinal Chemistry published new progress about 924-99-2. 924-99-2 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Amine,Aliphatic hydrocarbon chain,Ester, name is Ethyl 3-(dimethylamino)acrylate, and the molecular formula is C7H13NO2, Product Details of C7H13NO2.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Zhou, Xiaoqiang published the artcileCBr₄ Promoted α-Acyloxyation of β-Keto Esters and β-Diketones by Sodium Carboxylates, Formula: C6H10O3, the publication is ChemistrySelect (2022), 7(12), e202104498, database is CAplus.

CBr₄ promoted C-O coupling of β-keto esters and β-diketones with sodium carboxylates was developed. This mild and operationally simple methodol., using sodium carboxylates as acyloxyation source and deacid reagent, provides an efficient pathway for the acquisition of prospective α-acyloxylated ketones.

ChemistrySelect published new progress about 30414-53-0. 30414-53-0 belongs to esters-buliding-blocks, auxiliary class Aliphatic hydrocarbon chain,Ketone,Ester, name is Methyl 3-oxovalerate, and the molecular formula is C15H14O3, Formula: C6H10O3.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics