Category: 104-03-0

Barysevich, Maryia V. published the artcilePalladium-Catalyzed 2-(Neopentylsulfinyl)aniline Directed C-H Acetoxylation and Alkenylation of Arylacetamides, Category: catalysis-chemistry, the publication is European Journal of Organic Chemistry (2020), 2020(8), 937-943, database is CAplus.

The 2-(neopentylsulfinyl)aniline directing group that promotes rapid palladium-catalyzed C-H acetoxylation and alkenylation of arylacetamides has been developed. The acetoxylation reached completion within only 40 min at 100¡ãC and led to the bis-functionalized products. Alternatively, the reaction can be carried out at room temperature, which is beneficial for sensitive substrates. For the alkenylation, a protocol has been developed where easily available 1-substituted cyclopropanols were employed as equivalent of vinyl ketones.

European 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 C8H7NO4, Category: catalysis-chemistry.

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

Kumar, Jagdeep published the artcileAntioxidant properties of ethenyl indole: DPPH assay and TDDFT studies, Computed Properties of 104-03-0, the publication is New Journal of Chemistry (2020), 44(21), 8960-8970, database is CAplus.

A series of ethenyl indoles (e.g. 3-(4-substituted phenylethenyl-E)-N-H-indole) with various donor or acceptor substituents have been synthesized and their antioxidant properties have been studied. Ethenyl indoles exhibit antioxidant activity in a substituent dependent manner. Ethenyls bearing strong electron withdrawing substituents show weak or no antioxidant activity, whereas ethenyls with electron donating substituents exhibit antioxidant properties comparable to vitamin E. It can be seen from a plot of the percentage of inhibition vs. the antioxidant concentration, that the hydroxy substituted ethenyl indole exhibits good antioxidant properties (50% inhibition concentration (IC₅₀) ? 24¦ÌM) as compared to the other ethenyls (IC₅₀: 30-63¦ÌM) and that it is comparable to vitamin E (IC₅₀ ? 26¦ÌM). The results are also supported by the computational data obtained through time dependent d. functional theory (TDDFT) calculations From the TDDFT and antioxidant study, it was shown that there is a correlation between the HOMO-LUMO energy, the ground state dipole moment, optical band gap, bond dissociation enthalpy and the ionization potential of the ethenyls with the antioxidant properties. A possible hydrogen and/or electron and proton transfer mechanism is suggested for the quenching of the free radical.

New Journal of 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 C8H7NO4, Computed Properties of 104-03-0.

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

Gusain, Anamika published the artcileAntiradical Properties of trans-2-(4-substituted-styryl)-thiophene, HPLC of Formula: 104-03-0, the publication is Journal of Fluorescence (2021), 31(1), 51-61, database is CAplus and MEDLINE.

2-Substituted thiophene compounds with electron donating and electron withdrawing p-Ph substitution were synthesized and studied their radical scavenging properties using DPPH assay and DFT method. It is shown that p-hydroxy and p-amino Ph substituted compound exhibit radical scavenging activity. From DFT and radical scavenging studies, a correlation between IC50 with the bond dissociation enthalpy, proton affinity, ground state dipole moment and optical band gap of compound is found. Compounds 1-3 with electron withdrawing substituent (NO₂, CN, Cl) do not show any radical scavenging properties, whereas compounds 6-7 with electron donating substituent (OH, NH₂) show antiradical properties. Further, the antiradical activity is reduced drastically by replacing the -OH and -NH₂ with methoxy and -N-alkylating group resp. in 6 and 7. The compound with p-hydroxy Ph substitution, exhibits stronger antiradical activity as compared to the p-amino Ph substitution due to smaller O-H bond dissociation energy as compared to the N-H bond. From DPPH and DFT studies, it is suggested that the radical scavenging activity in 2-substituted thiophene is occurred through proton transfer mechanism. The other possible SET, SPLET mechanisms are also corroborated.

Journal of Fluorescence 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, HPLC of Formula: 104-03-0.

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

Kumar, Jagdeep published the artcileOptical properties of 3-substituted indoles, Recommanded Product: 4-Nitrophenylacetic acid, the publication is RSC Advances (2020), 10(47), 28213-28224, database is CAplus and MEDLINE.

The optical properties of various donor or acceptor p-Ph substituted ethenyl indoles I (R = H, OH, Cl, etc.; R¹ = H, Et, acetyl, benzenesulfonyl) were studied in solvents of varying polarity using absorption, fluorescence and TDDFT methods. Ethenyl indole exhibits non-linear optical properties (NLO) in a substituent dependent manner. Compound with a strong electron-attracting substituent-, shows large NLO properties with charge transfer behavior, whereas ethenyls with moderate electron withdrawing or electron donating substituent exhibit lower NLO properties with non polar excited state. A highly dipolar excited state for p-nitro Ph substituted ethenyl indoles (¦Ì_e: 18.2-27.1 debye; ¦¤_¦Ì: 9.4-17.8 debye) is observed as compared to other ethenyls (¦Ì_e: 6.6-9.5 debye; ¦¤_¦Ì: 4.2-6.2 debye). From TDDFT study, it is shown that the HOMO-LUMO energy of ethenyl is increased with increasing the electron donating ability of the p-Ph substitution. The optical band gap of ethenyl I (R = R¹ = H, II) without substitution, is decreased upon p-Ph substitution either with an electron withdrawing (Cl, NO₂) or an electron donating (OCH₃, OH, NH₂) substituent. The compound with a strong electron accepting, p-nitrophenyl ethenyl indole I (R = NO₂, R¹ = H, III) shows 12 times better NLO response as compared to the reference ethenyl indole II (¦Â: III: 115 x 10^-30 esu^-1 cm⁵, II: 9 x 10^-30 esu^-1 cm⁵). Ethenyls I (R = Cl, H, OMe, OH, NH₂; R¹ = H) bearing a weak or moderately electron withdrawing or electron accepting substituent, exhibit lower NLO response. The ¦Â of ethenyl is increased with increasing the order of electron withdrawing nature of Ph ring. Overall, a correlation of ¦Â with the optical band gap, ground state dipole moment, % of charge transfer in the ground and excited state is found.

RSC Advances 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, Recommanded Product: 4-Nitrophenylacetic acid.

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

Kim, Byungjun published the artcileStereodivergent Carbon-Carbon Bond Formation between Iminium and Enolate Intermediates by Synergistic Organocatalysis, COA of Formula: C8H7NO4, the publication is Journal of the American Chemical Society (2021), 143(1), 73-79, database is CAplus and MEDLINE.

Herein a stereodivergent method for the Michael addition of aryl acetic acid esters to ¦Á,¦Â-unsaturated aldehydes catalyzed by a combination of a chiral pyrrolidine and a chiral Lewis base has been reported. This reaction proceeds through a synergistic catalytic cycle which consists of one cycle leading to a chiral iminium electrophile and a second cycle generating a nucleophilic chiral enolate for the construction of a carbon-carbon bond. By varying the combinations of catalyst enantiomers, all four stereoisomers of the products with two vicinal stereocenters are accessible with high enantio- and diastereoselectivity. The products of the Michael addition, 1,5-aldehyde esters, can be readily transformed into a variety of other valuable enantioenriched structures, including those bearing three contiguous stereocenters in an acyclic system, thus providing an efficient route to an array of structural and stereochem. diversity.

Journal of the American Chemical Society 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, COA of Formula: C8H7NO4.

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

Tomita, Hiroya published the artcileRapid evaluation of the substrate specificity of 3-nitrobenzoic acid dioxygenase MnbAB via colorimetric detection using Saltzman reagent, COA of Formula: C8H7NO4, the publication is Journal of Industrial Microbiology & Biotechnology (2021), 48(9-10), kuab064, database is CAplus and MEDLINE.

Nitroarom. compounds are essential materials for chem. industry, but they are also potentially toxic environmental pollutants. Therefore, their sensitive detection and degradation are important concerns. The microbial degradation pathways of nitroarom. compounds have been studied in detail, but their usefulness needs to be evaluated to understand their potential applications in bioremediation. Here, we developed a rapid and relatively sensitive assay system to evaluate the activities and substrate specificities of nitroarom. dioxygenases involved in the oxidative biodegradation of nitroarom. compounds In this system, nitrous acid, which was released from the nitroarom. compounds by the dioxygenases, was detected and quantified using the Saltzman reagent. Escherichia coli producing the 3-nitrobenzoic acid dioxygenase complex MnbAB from Comamonas sp. JS46 clearly showed the apparent substrate specificity of MnbAB as follows. MnbAB accepted not only 3-nitrobenzoic acid but also several other p- and m-nitrobenzoic acid derivatives as substrates, although it much preferred 3-nitrobenzoic acid to others. Furthermore, the presence of a hydroxy or an amino group at the ortho position of the nitro group decreased the activity of MnbAB. In addition, MnbAB accepted 2-(4-nitrophenyl)acetic acid as a substrate, which has one addnl. methylene group between the aromatic ring and the carboxy group of 3-nitrobenzoic acid. This is the first report about the detailed substrate specificity of MnbAB. Our system can be used for other nitroarom. dioxygenases and contribute to their characterization.

Journal of Industrial Microbiology & Biotechnology 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 C7H9BO3S, COA of Formula: C8H7NO4.

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

Kavetsou, Eleni published the artcileNovel 3-aryl-5-substituted-coumarin analogues: Synthesis and bioactivity profile, Related Products of catalysis-chemistry, the publication is Drug Development Research (2020), 81(4), 456-469, database is CAplus and MEDLINE.

Eighteen 3-phenyl-5-substituted-coumarins, among them six were 5-acetyloxy-derivatives, six 5-hydroxy-derivatives and six 5-geranyloxy-derivatives I [R = hydroxy, acetoxy, geranyloxy; R¹ = H, MeO, Br; R² = H, MeO, Br, O₂N, etc.] were synthesized, structurally characterized and their antioxidant activity, lipoxygenase inhibitory ability, as well as their cytotoxic activity against human neuroblastoma SK-N-SH and HeLa adenocarcinoma cell lines were evaluated. The compounds I [R = hydroxy, acetoxy, geranyloxy; R¹ = H, MeO, Br; R² = H, MeO, Br, O₂N, etc.] were found to be the best cytotoxic agents among all the compounds studied. The bromo-substituted coumarins I [R = acetoxy, R¹ = H, R² = Br; R = acetoxy, R¹ = Br, R² = H] were remarkably active against HeLa cell line showing IC₅₀ 1.8 and 6.1¦ÌM, resp. Coumarin I [R = geranyloxy, R¹ = MeO, R² = H] presented dual bioactivity, while compound I [R = geranyloxy, R¹ = H, R² = MeO] was the most competent soybean lipoxygenase inhibitor of this series (IC₅₀ 10¦ÌM). As shown by in-silico docking studies, the studied mols. present allosteric interactions with soybean lipoxygenases.

Drug Development Research 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, Related Products of catalysis-chemistry.

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

Li, Yanli published the artcileCopper-Catalyzed Dynamic Kinetic C-P Cross-Coupling/Cyclization for the Concise Asymmetric Synthesis of Six-, Seven- and Eight-Membered P-Stereogenic Phosphorus Heterocycles, Recommanded Product: 4-Nitrophenylacetic acid, the publication is Angewandte Chemie, International Edition (2022), 61(24), e202117093, database is CAplus and MEDLINE.

A copper-catalyzed asym. aryl C-P cross-coupling/cyclization reaction was successfully developed via dynamic kinetic asym. transformation (DYKAT) under mild conditions. This study provides a general and simple method for the catalytic enantioselective synthesis of stable six-, seven- and eight-membered P-stereogenic phosphorus heterocycles with excellent enantioselectivities and moderate to high yields. One-pot gram-scale asym. synthesis of the P-stereogenic P-heterocycle from com. available materials was also successfully accomplished with excellent enantioselectivity and high yield.

Angewandte Chemie, International Edition 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, Recommanded Product: 4-Nitrophenylacetic acid.

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

Liu, Xiao published the artcileExploration of the SAR Connection between Morphinan- and Arylacetamide-Based ¦Ê Opioid Receptor (¦ÊOR) Agonists Using the Strategy of Bridging, Recommanded Product: 4-Nitrophenylacetic acid, the publication is ACS Chemical Neuroscience (2021), 12(6), 1018-1030, database is CAplus and MEDLINE.

¦Ê Opioid receptor (¦ÊOR) is a subtype of opioid receptors, and there are two major ¦ÊOR agonists currently available, morphinans and arylacetamides, which are structurally distinct from each other. Numerous efforts had been made to correlate these series of compounds in order to establish a consensus binding pattern for ¦ÊOR agonists. Unfortunately, no morphinan-based agent with an arylacetamidyl substituent has been identified as a ¦ÊOR agonist with a pharmacol. profile similar to arylacetamides. Since the recently described morphinan-based compound SLL-039 was identified as a selective and potent ¦ÊOR agonist that contains a unique benzamidyl substituent in structure similar to arylacetamides, numerous arylacetamidyl substituents were introduced to this scaffold to examine whether the structure-activity relationships (SARs) of arylacetamides in conferring ¦ÊOR agonistic activities could be reproduced by these analogs. Thus, a series of N-cyclopropylmethyl-7¦Á-arylacetamidylphenyl-6,14-endoethanotetrahydronorthebaine analogs were designed, synthesized, and assayed for biol. activities. Among these compounds, compound 4j with a 3′,4′-dimethylphenylacetamidyl substituent showed a single digit low nanomolar affinity to the ¦ÊOR and relatively high subtype selectivity in binding assays, but this profile was not reproduced in functional assays. In contrast, compound 4i displayed moderately selective ¦ÊOR agonistic activities in functional assays, which was inconsistent with its nonselective nature in binding assays. Overall, introduction of an arylacetamidyl substituent to the morphinan-based scaffold was associated with pharmacol. diversity in both binding and functional activities on opioid receptors in vitro. The resultant SARs were inconsistent with that of classical arylacetamides as ¦ÊOR agonists, despite bearing a similar arylacetamidyl substituent in the structure. Therefore, the arylacetamidyl substituent of the morphinan-based scaffold was found to be disconnected from that of arylacetamides in conferring ¦ÊOR activities.

ACS Chemical Neuroscience 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, Recommanded Product: 4-Nitrophenylacetic acid.

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

Gangadurai, Chinnakuzhanthai published the artcileFeCl₃-catalyzed oxidative decarboxylation of aryl/heteroaryl acetic acids: preparation of selected API impurities, Category: catalysis-chemistry, the publication is Organic & Biomolecular Chemistry (2020), 18(41), 8459-8466, database is CAplus and MEDLINE.

Herein, the FeCl₃-catalyzed oxidative decarboxylation of aryl- and heteroaryl acetic acids to the corresponding carbonyl compounds has been reported. A variety of useful aldehydes and ketones were prepared in a simple one-pot transformation by employing an environmentally benign, low-cost, and readily available iron salt. The utility of this method has been demonstrated by preparing five valuable API impurities including a multi-gram-scale synthesis of ketorolac impurity B for the first time.

Organic & Biomolecular 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 C8H7NO4, Category: catalysis-chemistry.

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