Tag: M.W=150-200

Lieber, Charles M. published the artcileProbing polymer-induced reactivity effects in modified electrode/catalyst systems, Quality Control of 530-40-5, the publication is Journal of the Electrochemical Society (1986), 133(11), 442C-444C, database is CAplus.

To elucidate reactivity effects in modified electrode systems, the substitution kinetics of Ru(NH₃)₅(H₂O)²⁺ with substituted pyridines was selected: Ru(NH₃)₅(H₂O)²⁺ + R-Py → Ru(NH₃)₅(R-Py)²⁺ + H₂O; R-Py = pyridine derivatives: isonicotinamide, pyridine, 3-chloropyridine, or N,N-diethylisonicotinamide. A pyrolytic graphite electrode was modified with Nafion solutions to give in most cases a film thickness of ∼0.4 μm. Cyclic voltammograms were recorded and the kinetics and mechanistic implications were discussed. These results indicate that Nafion-modified electrodes may be utilized to effect chem. transformations that are quite different from those found in homogeneous solution

Journal of the Electrochemical Society published new progress about 530-40-5. 530-40-5 belongs to amides-buliding-blocks, auxiliary class Pyridine,Amine,Amide, name is N,N-Diethylisonicotinamide, and the molecular formula is C10H14N2O, Quality Control of 530-40-5.

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

Oeberg, Tomas published the artcileA QSAR for Baseline Toxicity: Validation, Domain of Application, and Prediction, Synthetic Route of 2447-79-2, the publication is Chemical Research in Toxicology (2004), 17(12), 1630-1637, database is CAplus and MEDLINE.

The interest in modeling and application of structure-activity relationships has steadily increased in recent decades. It is generally acknowledged that these empirical relationships are valid only within the same domain for which they were developed. However, model validation is sometimes neglected, and the application domain is not always well-defined. The purpose of this paper is to outline how validation and domain definition can facilitate the modeling and prediction of baseline toxicity for a large database. A large number of theor. descriptors (867) were generated from two-dimensional mol. structures for compounds present in the U.S. EPA’s Fathead Minnow Database (611) and the Syracuse Research Corporation’s PhysProp Database (25,000+). A quant. structure-activity relationship model was developed for baseline toxicity (narcosis) toward the fathead minnow (Pimephales promelas) using a projection-based regression technique, PLSR (partial least squares regression). The PLSR model was subsequently validated with an external test set. The main factors of variation were related to size/shape and polar interactions. The prediction error was comparable to, or slightly better than, the ECOSAR procedures. A set of 16 805 compounds, drawn from the PhysProp Database, was projected onto the PLSR model. More than 90% (15 597) of the compounds fall within the valid model domain, defined by the residual standard deviation and the leverage. The predicted baseline toxicity indicates an acute hazard for two-thirds of these compounds, classes I-III in the OECD Globally Harmonized Classification System (LC₅₀ ≤100 mg L^-1). Finally, the mode of action assigned in the U.S. EPA Fathead Minnow Database was investigated. Reclassification to narcosis as the mode of action is suggested for 92 compounds, mostly from the groups “unsure” and “mixed”. The present classification into specific modes of action seems to be further strengthened by the findings in this investigation.

Chemical Research in Toxicology published new progress about 2447-79-2. 2447-79-2 belongs to amides-buliding-blocks, auxiliary class Chloride,Amine,Benzene,Amide, name is 2,4-Dichlorobenzamide, and the molecular formula is C7H5Cl2NO, Synthetic Route of 2447-79-2.

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

Deng, Hongfeng published the artcileDiscovery and Optimization of Potent, Selective, and in Vivo Efficacious 2-Aryl Benzimidazole BCATm Inhibitors, Recommanded Product: 4-Fluoro-N-methyl-3-nitrobenzamide, the publication is ACS Medicinal Chemistry Letters (2016), 7(4), 379-384, database is CAplus and MEDLINE.

To identify BCATm inhibitors suitable for in vivo study, Encoded Library Technol. (ELT) was used to affinity screen a 117 million member benzimidazole based DNA encoded library, which identified an inhibitor series with both biochem. and cellular activities. Subsequent SAR studies led to the discovery of a highly potent and selective compound I with much improved PK properties. X-ray structure revealed that I binds to the active site of BACTm in a unique mode via multiple H-bond and van der Waals interactions. After oral administration, I raised mouse blood levels of all three branched chain amino acids as a consequence of BCATm inhibition.

ACS Medicinal Chemistry Letters published new progress about 475216-25-2. 475216-25-2 belongs to amides-buliding-blocks, auxiliary class Fluoride,Nitro Compound,Amine,Benzene,Amide,Benzene Compounds, name is 4-Fluoro-N-methyl-3-nitrobenzamide, and the molecular formula is C8H7FN2O3, Recommanded Product: 4-Fluoro-N-methyl-3-nitrobenzamide.

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

Zhang, Jinqi published the artcileStudy on the aluminum amides conversion of esters to amides, Safety of N,N-Diethylisonicotinamide, the publication is Nanjing Daxue Xuebao, Ziran Kexue (1996), 32(2), 242-245, database is CAplus.

A convenient method was used for directly converting esters to amides by using the reagents derived from the reaction of trimethylaluminum with ammonium chloride, primary amines hydrochloride or secondary amines hydrochloride at high yield in relatively short reaction time and at low temperature Reactions of aluminum amides with aromatic esters were extensively studied and the influence of different substituting groups on the reaction was discussed. It was concluded that, if an electron-donating group was attached to the nitrogen atom instead of hydrogen, the reactivity of the aluminum amide would be increased, and, if an electron-withdrawing group was attached to benzene ring, the electron-deficiency of carboyl carbon would be increased, the yield of amides would be also increased.

Nanjing Daxue Xuebao, Ziran Kexue published new progress about 530-40-5. 530-40-5 belongs to amides-buliding-blocks, auxiliary class Pyridine,Amine,Amide, name is N,N-Diethylisonicotinamide, and the molecular formula is C10H11NO4, Safety of N,N-Diethylisonicotinamide.

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

Bald, Edward published the artcileThe synthetic utility of 2-halopyridinium salts. Preparation of pyridinemonocarboxylic esters and amides under mild conditions, Related Products of amides-buliding-blocks, the publication is Chemica Scripta (1979), 13(1), 47, database is CAplus.

The equimolar reaction of pyridinemonocarboxylic acids with alcs. or amines and 2-chloro-1-methylpyridinium iodide in the presence of 2 M amounts of Et₃N gave the corresponding pyridinemonocarboxylic esters or amides in good yields.

Chemica Scripta published new progress about 530-40-5. 530-40-5 belongs to amides-buliding-blocks, auxiliary class Pyridine,Amine,Amide, name is N,N-Diethylisonicotinamide, and the molecular formula is C10H14N2O, Related Products of amides-buliding-blocks.

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

Geng, Zhiyue published the artcilePd-catalyzed C-P coupling of heteroaryl boronic acid with H-phosphonate diester, Synthetic Route of 947533-21-3, the publication is Tetrahedron Letters (2016), 57(29), 3063-3066, database is CAplus.

We report herein a novel protocol to construct C-P bond from heteroaryl boronic acid with H-phosphonate diester under Pd-Ag catalyzed system without addition of base. This method, directly using com. available heteroaryl boronic acid as the starting material, provides a new way to synthesize a variety of useful heteroaryl phosphonates.

Tetrahedron Letters published new progress about 947533-21-3. 947533-21-3 belongs to amides-buliding-blocks, auxiliary class Pyridine,Boronic acid and ester,Amine,Amide,Boronic Acids,Boronic Acids,Boronic acid and ester,, name is (6-Acetamidopyridin-3-yl)boronic acid, and the molecular formula is C7H9BN2O3, Synthetic Route of 947533-21-3.

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

Zheng, Nan published the artcilePoly(photosensitizer) Nanoparticles for Enhanced in Vivo Photodynamic Therapy by Interrupting the π-π Stacking and Extending Circulation Time, Quality Control of 1869-45-0, the publication is ACS Applied Materials & Interfaces (2019), 11(20), 18224-18232, database is CAplus and MEDLINE.

The natural planar and rigid structures of most of the hydrophobic photosensitizers (PSs) [such as tetra-Ph porphyrin (TPP)] significantly reduce their loading efficiencies in polymeric nanoparticles (NPs) because of the strong π-π interaction-induced aggregation. This aggregation-caused quenching will further reduce the quantum yield of singlet oxygen (¹O₂) generation and weaken the efficiency of photodynamic therapy (PDT). In addition, the small mol. PSs exhibit short tumor retention time and tend to be easily cleared once released. Herein, poly(TPP) NPs, prepared by crosslinking of reactive oxygen species degradable, thioketal linkers and TPP derivatives, followed by coprecipitation, were first developed with quant. loading efficiency (>99%), uniform NP sizes (without aggregation), increased singlet oxygen quantum yield (Φ_Δ = 0.79 in DMSO compared with 0.52 for original TPP), increased in vitro phototoxicity, extended tumor retention time, light-triggered on-demand release, and enhanced in vivo antitumor efficacy, which comprehensively address the multiple issues for most of the PSs in the PDT area.

ACS Applied Materials & Interfaces published new progress about 1869-45-0. 1869-45-0 belongs to amides-buliding-blocks, auxiliary class Trifluoromethylated Building Blocks, name is 2,2,2-Trifluoro-N-(2-mercaptoethyl)acetamide, and the molecular formula is C6H8BNO3, Quality Control of 1869-45-0.

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

Wang, Shi-Meng published the artcileClickable coupling of carboxylic acids and amines at room temperature mediated by SO₂F₂: A significant breakthrough for the construction of amides and peptide linkages, Category: amides-buliding-blocks, the publication is Organic & Biomolecular Chemistry (2019), 17(16), 4087-4101, database is CAplus and MEDLINE.

A mild, simple, efficient and robust protocol was developed for the synthesis of amides RC(O)NR¹R² [R = Et, Ph, 2-furyl, 4-pyridyl, etc., R¹ = H, Et, Bn, etc., R² = Et, Ph, 3-pyridyl, etc.] via SO₂F₂-mediated clickable coupling of carboxylic acids with amines. Peptide linkages were also prepared using this methodol. The direct click reactions of acids and amines on gram scale were also demonstrated using an extremely easy work-up and purification process of washing with 1 M aqueous HCl to provide the desired amides in greater than 99% purity and excellent yields.

Organic & Biomolecular Chemistry published new progress about 530-40-5. 530-40-5 belongs to amides-buliding-blocks, auxiliary class Pyridine,Amine,Amide, name is N,N-Diethylisonicotinamide, and the molecular formula is C2H4ClNO, Category: amides-buliding-blocks.

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

Hou, Hongcen published the artcileRhodium-catalyzed direct C-H bond alkynylation of aryl sulfonamides with bromoalkynes, Safety of 4-Fluoro-2-methylbenzenesulfonamide, the publication is Organic & Biomolecular Chemistry (2019), 17(11), 2948-2953, database is CAplus and MEDLINE.

An efficient protocol for the synthesis of ortho-(1-alkynyl)benzenesulfonamides I [R = H, 4-Me, 4-OCF₃, etc.] was developed via rhodium-catalyzed direct ortho-mono-alkynylation of aryl sulfonamides with triisopropylsilyl (TIPS)-substituted bromoalkyne. While triethylsilyl or trimethylsilyl (TES or TMS)-substituted bromoalkyne was also amenable to the alkynylation, affording six membered benzosultams II [R¹ = TMS, TES; R² = H, 6-Me, 6-Et, 6-OMe] via the alkynylation/intramol. cyclization cascade reaction. The present protocol displayed high functional group tolerance and broad substrate scope under an air atm. in good to high yields. Mechanistic studies indicated that the reaction proceeded by a turnover limiting C-H activation step and a plausible mechanism was proposed.

Organic & Biomolecular Chemistry published new progress about 489-17-8. 489-17-8 belongs to amides-buliding-blocks, auxiliary class Fluoride,Sulfamide,Amine,Benzene, name is 4-Fluoro-2-methylbenzenesulfonamide, and the molecular formula is C7H8FNO2S, Safety of 4-Fluoro-2-methylbenzenesulfonamide.

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

Hou, Hongcen published the artcileIridium-Catalyzed ortho-C-H Amidation of Benzenesulfonamides with Sulfonyl Azides, SDS of cas: 489-17-8, the publication is Advanced Synthesis & Catalysis (2019), 361(18), 4393-4398, database is CAplus.

An iridium-catalyzed direct C-H activation/C-N bond formation reaction of benzenesulfonamides RS(O)₂NHR¹ (R = Ph, 2-methyl-4-fluorophenyl, 3-chlorophenyl, etc.) with sulfonyl azides R²C₆H₄S(O)₂N₃ (R² = H, 4-Me, 2-Me, 4-OMe) was developed. The amidation reaction provides a protocol for the synthesis of 2-aminobenzenesulfonamides I (R³ = H, 2-Me-4-F, 3-Cl, 4-Ph, etc.) in good to excellent yields. This strategy features a wide substrate scope, tolerates a broad range of functional groups under external oxidant-free conditions and only releases mol. nitrogen as the sole byproduct. Moreover, the preliminary mechanism was investigated and the proposed reaction pathway was provided.

Advanced Synthesis & Catalysis published new progress about 489-17-8. 489-17-8 belongs to amides-buliding-blocks, auxiliary class Fluoride,Sulfamide,Amine,Benzene, name is 4-Fluoro-2-methylbenzenesulfonamide, and the molecular formula is C7H8FNO2S, SDS of cas: 489-17-8.

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