Category: 104-03-0

Wu, Jiaxin published the artcileSolubility Modeling, Solvent Effect, and Dissolution Properties of 4-Nitrophenylacetic Acid in Thirteen Solvents Ranging from 283.15 to 328.15 K, COA of Formula: C8H7NO4, the publication is Journal of Chemical & Engineering Data (2020), 65(5), 2894-2902, database is CAplus.

Solubility of 4-nitrophenylacetic acid in 13 neat solvents of n-propanol, methanol, ethylene glycol (EG), ethanol, isopropanol, cyclohexane, acetonitrile, N,N-DMF (DMF), N,N-dimethylacetylammonia (DMA), n-butanol, Et acetate, water, and isobutanol was exptl. attained by the use of a shake-flask method ranging from 283.15 to 328.15 K at ambient pressure of p = 101.2 kPa. The solubility of 4-nitrophenylacetic acid (mole fraction) increased as the studied temperature increased and presented the subsequence in the studied solvents: DMF > methanol > DMA > ethanol > n-propanol > n-butanol > Et acetate > isopropanol > isobutanol > acetonitrile > EG > water > cyclohexane. The interactions of solvent-solvent and solvent-solute mols. were inspected through linear solvation energy relationships. Results showed that the dipolarity/polarizability and Hildebrand solubility parameter of solvents greatly affected the 4-nitrophenylacetic acid solubility The determined solubility was math. correlated by the NRTL model, ¦Ëh equation, Apelblat equation, and Wilson model. The maximum values of root-mean-square deviations and relative average deviations were 57.52 x 10^-4 and 4.22 x 10^-2, resp. The values of relative average deviation were lower via the Apelblat equation than via the other model/equations for a certain neat solvent. As well, the dissolution properties, reduced excess enthalpy, and activity coefficient at infinitesimal concentration were derived according to the Wilson model. The obtained solubility data and thermodn. relationships were of crucial importance for the purification of 4-nitrophenylacetic acid isomers.

Journal of Chemical & Engineering Data published new progress about 104-03-0. 104-03-0 belongs to catalysis-chemistry, auxiliary class Nitro Compound,Carboxylic acid,Benzene, name is 4-Nitrophenylacetic acid, and the molecular formula is C18H20N2O12, COA of Formula: C8H7NO4.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Zhang, Qing published the artcileSynthesis and biological evaluation of diaryl urea derivatives as FLT3 inhibitors, Related Products of catalysis-chemistry, the publication is Bioorganic & Medicinal Chemistry Letters (2020), 30(23), 127525, database is CAplus and MEDLINE.

As a class III receptor tyrosine kinase (RTK), FMS-like tyrosine kinase 3 (FLT3) is always overexpressed in many cases of acute leukemia. This paper studies the structure-based synthesis and biol. evaluation of diaryl urea derivatives as FLT3 inhibitors. Encouragingly, compounds 1-(3-(tert-butyl)isoxazol-5-yl)-3-(4-(7-methoxybenzo[d]imidazo[2,1-b]thiazol-2-yl)phenyl)urea , 1-(3-(tert-butyl)isoxazol-5-yl)-3-(4-(7-(2-morpholinoethoxy)benzo[d]imidazo[2,1-b]thiazol-2-yl)phenyl)urea , 1-(5-(tert-butyl)isoxazol-3-yl)-3-(2-(4-(2-morpholinoethoxy)phenyl)benzo[d]imidazo[2,1-b]thiazol-7-yl)urea , and 1-(3-(tert-butyl)isoxazol-5-yl)-3-(2-(4-(2-morpholinoethoxy)phenyl)benzo[d]imidazo[2,1-b]thiazol-7-yl)urea showed excellent biol. activities in a low nanomolar range. In particular, compound 1-(3-(tert-butyl)isoxazol-5-yl)-3-(4-(7-(2-morpholinoethoxy)benzo[d]imidazo[2,1-b]thiazol-2-yl)phenyl)urea demonstrated significant inhibitory potency against FLT3-ITD (IC₅₀ = 5.60 nM) and better antiproliferative activity than quizartinib against MV4-11 cell line (IC₅₀ = 0.176 nM). Compound 1-(3-(tert-butyl)isoxazol-5-yl)-3-(4-(7-(2-morpholinoethoxy)benzo[d]imidazo[2,1-b]thiazol-2-yl)phenyl)urea for the treatment of acute myeloid leukemia could be very promising.

Bioorganic & Medicinal Chemistry Letters published new progress about 104-03-0. 104-03-0 belongs to catalysis-chemistry, auxiliary class Nitro Compound,Carboxylic acid,Benzene, name is 4-Nitrophenylacetic acid, and the molecular formula is C5H6BNO2, Related Products of catalysis-chemistry.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Yu, Haiyang published the artcileRhodium(I)-Catalyzed C2-Selective Decarbonylative C-H Alkylation of Indoles with Alkyl Carboxylic Acids and Anhydrides, Category: catalysis-chemistry, the publication is Asian Journal of Organic Chemistry (2021), 10(4), 879-885, database is CAplus.

A Rh(I)-catalyzed chelation-assisted C2-selective C-H decarbonylative alkylation of indoles with readily available, cheap, safe and structurally diverse alkyl carboxylic acids or anhydrides has been developed. A wide variety of primary and secondary alkyl carboxylic acids and differently substituted indoles are compatible with this transformation, allowing facile synthesis of various C2-alkylated indoles with high efficiency and broad tolerance of diverse functional groups. The reaction proceeds in the absence of any external oxidant, and the presence of readily installable and removable N-pyrimidyl directing group is critical for catalysis. The process is convenient and scalable, and avoids the use of a dried solvent and an inert atm. Moreover, selective C7-alkylation and C2, C7-dialkylation have also been achieved by slightly modifying the reaction conditions.

Asian Journal of Organic Chemistry published new progress about 104-03-0. 104-03-0 belongs to catalysis-chemistry, auxiliary class Nitro Compound,Carboxylic acid,Benzene, name is 4-Nitrophenylacetic acid, and the molecular formula is C24H29N5O3, Category: catalysis-chemistry.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Ding, Lei published the artcileSynthesis and biological evaluation of novel 5,6-dihydrobenzo[h]quinazoline derivatives as FLT3 inhibitors, Quality Control of 104-03-0, the publication is Chemical Biology & Drug Design (2022), 99(4), 527-534, database is CAplus and MEDLINE.

Fms-like tyrosine kinase 3 (FLT3) is widely expressed and often mutated in acute myeloid leukemia (AML), which makes it an important target for the treatment of AML. The structure-based synthesis and biol. evaluation of 5,6-dihydrobenzo[h]quinazoline derivatives as FLT3 inhibitors have been studied in this paper. Compound I derivatives (X and Y = N, CH, CF, or CCH₃ and R = isoxazole derivatives) displayed comparable inhibitory potency against FLT3-ITD and showed remarkable antiproliferative activities against MV4-11.

Chemical Biology & Drug Design published new progress about 104-03-0. 104-03-0 belongs to catalysis-chemistry, auxiliary class Nitro Compound,Carboxylic acid,Benzene, name is 4-Nitrophenylacetic acid, and the molecular formula is C8H7NO4, Quality Control of 104-03-0.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Tang, Shengbiao published the artcileIridium-catalyzed regio- and enantioselective allylic esterification of secondary allylic alcohols with carboxylic acids, Related Products of catalysis-chemistry, the publication is Chemical Communications (Cambridge, United Kingdom) (2021), 57(84), 11080-11083, database is CAplus and MEDLINE.

Authors report herein an iridium-catalyzed asym. allylic esterification of racemic secondary allylic alcs. using free carboxylic acids as nucleophiles under mild conditions with broad functional group tolerance, exhibiting excellent regio- and enantioselectivity.

Chemical Communications (Cambridge, United Kingdom) published new progress about 104-03-0. 104-03-0 belongs to catalysis-chemistry, auxiliary class Nitro Compound,Carboxylic acid,Benzene, name is 4-Nitrophenylacetic acid, and the molecular formula is C16H10O5, Related Products of catalysis-chemistry.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Mohammadzadeh, Safoora published the artcileThe electrochemical behavior of 4-nitrobenzyl bromide and its catalytic activity for reduction of CO₂ in the acetonitrile solvent at the Cu/Pd/rGO/GCE surface, Computed Properties of 104-03-0, the publication is Electrochimica Acta (2020), 136483, database is CAplus.

4-Nitrobenzyl bromide was used as a catalyst for reduction of CO₂ and as an initial substrate for electrosynthesis of 4-nitrophenylacetic acid. Cu nanoparticles/Pd nanoparticles/reduced graphene oxide nanocomposite modified glassy C electrode (Cu/Pd/rGO/GCE) was used to promote electroactivation of CO₂. rGO film was fabricated via electrochem. reduction of dispersed GO nanosheets on the GCE surface. Cyclic voltammetry procedure was applied in two steps to deposit Pd and Cu nanoparticles on the rGO/GCE surface. The morphol. and structure of the nanocomposites were characterized using FESEM, EDS, AFM and XRD anal. FTIR, ¹H and ¹³C NMR spectral characteristics were used to identify the final products of the catalytic process. The electrocarboxylation of 4-nitrobenzyl bromide occurs at a potential which is less neg. than those reported for other aryl halides. 4-Nitrobenzyl bromide, as a catalyst, plays a dual role in the electrosynthesis of 4-nitrophenylacetate. The dual role includes the electrocatalytic reduction of CO₂ and reaction of produced CO^?-₂ with 4-nitrobenzyl bromide radical anion. Finally, an EC’C mechanism is proposed for the electrosynthesis of 4-nitrophenylacetate.

Electrochimica Acta published new progress about 104-03-0. 104-03-0 belongs to catalysis-chemistry, auxiliary class Nitro Compound,Carboxylic acid,Benzene, name is 4-Nitrophenylacetic acid, and the molecular formula is C8H7NO4, Computed Properties of 104-03-0.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Cheng, Xiu-Fen published the artcilePalladium(II)-Catalyzed C(sp²)-H Bond Activation/C-N Bond Cleavage Annulation of N-Methoxy Amides and Arynes, Application In Synthesis of 104-03-0, the publication is Organic Letters (2022), 24(11), 2087-2092, database is CAplus and MEDLINE.

The Pd(II)-catalyzed C-H bond activation/C-N bond cleavage annulation reaction of N-alkyoxyamide aryne was developed to synthesize 9,10-dihydrophenanthrenone derivatives I [R¹ = H, 3-Me, 2-MeO, etc.; R² = Me, n-Pr, i-Pr, n-Bu, Ph, cyclohexyl; R³ = Me, n-Bu, Ph; R⁴ = H, 7-F, 6,7-di-MeO, etc.; R²R³ = (CH₂)₄, (CH₂)₅, (CH₂)₂O(CH₂)₂]. This reaction exhibited good functional group compatibility with yields up to 92%. Detailed mechanistic studies showed that the key to C-N bond cleavage was the formed eight-membered palladacycle intermediate undergoing nucleophilic addition to the carbonyl group, which provided a new and practical way for N-alkoxyamide directed C-H bond activation.

Organic Letters published new progress about 104-03-0. 104-03-0 belongs to catalysis-chemistry, auxiliary class Nitro Compound,Carboxylic acid,Benzene, name is 4-Nitrophenylacetic acid, and the molecular formula is C8H7NO4, Application In Synthesis of 104-03-0.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Xia, Yuehan published the artcileDiscovery of tetrahydroquinolines and benzomorpholines as novel potent ROR¦Ãt agonists, Computed Properties of 104-03-0, the publication is European Journal of Medicinal Chemistry (2021), 113013, database is CAplus and MEDLINE.

The retinoic acid receptor-related orphan receptor ¦Ãt (ROR¦Ãt) is an important nuclear receptor that regulates the differentiation of Th17 cells and production of interleukin 17(IL-17). ROR¦Ãt agonists increase basal activity of ROR¦Ãt and could provide a potential approach to cancer immunotherapy. Herein, hit compound I was identified as a weak ROR¦Ãt agonist during inhouse library screening. Changes in LHS core of I led to the identification of tetrahydroquinoline compound II as a partial ROR¦Ãt agonist (maximum act. = 39.3%). Detailed structure-activity relationship on substituent of the LHS core, amide linker and RHS arylsulfonyl moiety was explored and a novel series of tetrahydroquinolines and benzomorpholines was discovered as potent ROR¦Ãt agonists. Tetrahydroquinoline compound III (EC₅₀ = 8.9 ¡À 0.4 nM, maximum act. = 104.5%) and benzomorpholine compound IV (EC₅₀ = 7.5 ¡À 0.6 nM, maximum act. = 105.8%) were representative compounds with high ROR¦Ãt agonistic activity in dual FRET assay, and they showed good activity in cell-based Gal4 reporter gene assay and Th17 cell differentiation assay (104.5% activation at 300 nM of III; 59.4% activation at 300 nM of IV). The binding modes of III and IV as well as the two ROR¦Ãt inverse agonists accidentally discovered were also discussed.

European Journal of Medicinal Chemistry published new progress about 104-03-0. 104-03-0 belongs to catalysis-chemistry, auxiliary class Nitro Compound,Carboxylic acid,Benzene, name is 4-Nitrophenylacetic acid, and the molecular formula is C6H9N3O2S, Computed Properties of 104-03-0.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Tharamak, Sorachat published the artcileSynthesis of thymyl esters and their insecticidal activity against Spodoptera litura (Lepidoptera: Noctuidae), Related Products of catalysis-chemistry, the publication is Pest Management Science (2020), 76(3), 928-935, database is CAplus and MEDLINE.

Thymol, a natural phenolic monoterpene originating from Thymus vulgaris, is recognized as a safe and potent botanical insecticide to many insects. The structural modification of thymol into thymyl esters is a potential approach for the development of novel insecticides, which showed more toxicity than thymol. However, there are no reports on the insecticidal activity of thymyl esters to control Spodoptera litura. Thymol was structurally modified into ten thymyl esters by esterification using a new reagent, PPh₃/Br₃CSO₂Ph. The insecticidal activity of these compounds was examined against the second instars of Spodoptera litura using a topical application. Among the ten thymyl esters evaluated, thymyl cinnamate was the most toxic with LD₅₀ = 0.41 and 0.34 ¦Ìg/larva after 24 and 48 h posttreatment, resp. In addition, thymyl cinnamate-treated larvae showed increasing carboxylesterase and acetylcholinesterase activities in vivo experiment, whereas glutathione S-transferase activity showed no significant difference. Thymyl cinnamate were first reported to exhibit toxicity against S. litura 2.41-2.46 fold more efficient than thymol. However, the detailed biochem. interactions are necessary for further development of novel insecticides.

Pest Management Science published new progress about 104-03-0. 104-03-0 belongs to catalysis-chemistry, auxiliary class Nitro Compound,Carboxylic acid,Benzene, name is 4-Nitrophenylacetic acid, and the molecular formula is C9H8N2O3, Related Products of catalysis-chemistry.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Yu, Ming-Jun published the artcileDual Anti-cancer and Anti-Itch Activity of PD176252 Analogues: Design, Synthesis and Biological Evaluation, SDS of cas: 104-03-0, the publication is Anti-Cancer Agents in Medicinal Chemistry (2020), 19(8), 992-1001, database is CAplus and MEDLINE.

Cancer patients treated with targeted anti-cancer drug suffer from itch or pruritus. Itch or pruritus is an unpleasant sensation that brings about a neg. impact on quality of life, and serious itch may lead to dose reduction and even discontinuation. Gastrin releasing peptide receptor (GRPR) plays a critical role in itch, inflammation and cancer, and GRPR antagonist has obvious effect on cancer, inflammation and itch. The aim of this paper is to develop a new agent with anti-cancer and anti-itch activity. A series of GRPR antagonist PD176252 analogs (3a-3l) were designed and synthesized. Both anticancer and anti-itch activities were evaluated. Anti-cancer activity was evaluated in three human cancer cell lines in vitro, the anti-itch activity in evaluated with Kunming mice by intrathecal injection of chloroquine phosphate as a modeling medium. And the cytotoxicity on normal cells was evaluated. Of the tested compounds, compound 3i showed potently anti-cancer activity to all cancer cell lines tested with IC50 values of 10.5¦ÌM (lung), 11.6¦ÌM (breast) and 12.8¦ÌM (liver) resp. and it also showed significant inhibition of the scratching behavior. Comparing with PD17625, compound 3i and 3g gave better inhibition activities against all cancer cell lines, compound 3b, 3c and 3i showed better anti-itch activity. The compound 3i is safe for normal breast and liver normal cells, but it has high cytotoxicity on normal lung cell. The synthesized compounds have dual anti-cancer and anti-itch activity, so the development of drug with dual anti-tumor and anti-itch property is possible.

Anti-Cancer Agents in Medicinal Chemistry published new progress about 104-03-0. 104-03-0 belongs to catalysis-chemistry, auxiliary class Nitro Compound,Carboxylic acid,Benzene, name is 4-Nitrophenylacetic acid, and the molecular formula is C18H10, SDS of cas: 104-03-0.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia