Tag: 200-300

《Computational-aided design of a library of lactams through a diversity-oriented synthesis strategy》 was published in Bioorganic & Medicinal Chemistry in 2020. These research results belong to Saldivar-Gonzalez, Fernanda I.; Lenci, Elena; Calugi, Lorenzo; Medina-Franco, Jose L.; Trabocchi, Andrea. Recommanded Product: Trimethylsulfoxonium iodide The article mentions the following:

Small mol. libraries for virtual screening are becoming a well-established tool for the identification of new hit compounds As for exptl. assays, the library quality, defined in terms of structural complexity and diversity, is crucial to increase the chance of a successful outcome in the screening campaign. In this context, Diversity-Oriented Synthesis has proven to be very effective, as the compounds generated are structurally complex and differ not only for the appendages, but also for the mol. scaffold. In this work, we automated the design of a library of lactams by applying a Diversity-Oriented Synthesis strategy called Build/Couple/Pair. We evaluated the novelty and diversity of these compounds by comparing them with lactam moieties contained in approved drugs, natural products, and bioactive compounds from ChEMBL. Finally, depending on their scaffold we classified them into β-, γ-, δ-, ε-, and isolated, fused, bridged and spirolactam groups and we assessed their drug-like and lead-like properties, thus providing the value of this novel in silico designed library for medicinal chem. applications. In the experiment, the researchers used many compounds, for example, Trimethylsulfoxonium iodide(cas: 1774-47-6Recommanded Product: Trimethylsulfoxonium iodide)

Trimethylsulfoxonium iodide(cas: 1774-47-6) reacts with sodium hydride to prepare dimethyloxosulfonium methylide, which is used as a methylene-transfer reagent in synthetic chemistry. It is used to prepare ylide, which reacts with carbonyl compounds to get epoxides. Further, it reacts with alfa,beta-unsaturated esters to get cyclopropyl esters.Recommanded Product: Trimethylsulfoxonium iodide

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

The author of 《Synthesis of indoles and quinazolines via additive-controlled selective C-H activation/annulation of N-arylamidines and sulfoxonium ylides》 were Lai, Ruizhi; Wu, Xiaohua; Lv, Songyang; Zhang, Chen; He, Maoyao; Chen, Yuncan; Wang, Qiantao; Hai, Li; Wu, Yong. And the article was published in Chemical Communications (Cambridge, United Kingdom) in 2019. Recommanded Product: Trimethylsulfoxonium iodide The author mentioned the following in the article:

Selective synthesis of indole I (R1 = 5-OCH3, 6-F, 4,6-(CH3)2, etc.; R2 = CH3, (CH2)2CH3, CH2CH(CH3)2, (CH2)2OCH3, CH2C6H5; R3 = C6H5, 2-naphthyl, 2H-1,3-benzodioxol-5-yl, etc.) and quinazoline products II (R4 = 6-OCH3, 5-Cl, 6-C(O)CH3)was achieved through a precise control of the C-H activation/annulation by changing the additives from NaOAc to CuF2/CsOAc. This strategy constructs indoles I and quinazoline scaffolds II efficiently, and hence it is greatly used in pharmaceutical, agricultural and chem. industries.Trimethylsulfoxonium iodide(cas: 1774-47-6Recommanded Product: Trimethylsulfoxonium iodide) was used in this study.

Trimethylsulfoxonium iodide(cas: 1774-47-6) reacts with sodium hydride to prepare dimethyloxosulfonium methylide, which is used as a methylene-transfer reagent in synthetic chemistry. It is used to prepare ylide, which reacts with carbonyl compounds to get epoxides. Further, it reacts with alfa,beta-unsaturated esters to get cyclopropyl esters.Recommanded Product: Trimethylsulfoxonium iodide

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

In 2019,Chemical Communications (Cambridge, United Kingdom) included an article by Liang, Ren-Xiao; Xu, Deng-Yun; Yang, Fu-Ming; Jia, Yi-Xia. Name: 2-Iodobenzoic acid. The article was titled 《A Pd-catalyzed domino Larock annulation/dearomative Heck reaction》. The information in the text is summarized as follows:

A palladium-catalyzed domino Larock annulation/dearomative Heck reaction was developed, which delivered a range of tetracyclic indoline derivatives in moderate to excellent yields through a Larock annulation of N-bromobenzoyl o-iodoanilines with alkynes and a subsequent intramol. dearomative Heck reaction. This protocol provided a straightforward route to structurally diverse indolines from readily available starting materials by forming two new rings and three chem. bonds in a single step. In the experiment, the researchers used many compounds, for example, 2-Iodobenzoic acid(cas: 88-67-5Name: 2-Iodobenzoic acid)

2-Iodobenzoic acid(cas: 88-67-5) belongs to organic iodides. Generally organic iodides can be divided into two classes of alkyl iodides and aryl iodides. Name: 2-Iodobenzoic acid Typical reactions of alkyl iodides include nucleophilic substitution, elimination, reduction, and the formation of organometallics.

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

In 2019,Chemical Communications (Cambridge, United Kingdom) included an article by Joshi, Abhisek; Semwal, Rashmi; Suresh, Eringathodi; Adimurthy, Subbarayappa. Quality Control of 1-Bromo-3-iodobenzene. The article was titled 《Pd-Catalyzed regioselective synthesis of 2,6-disubstituted pyridines through denitrogenation of pyridotriazoles and 3,8-diarylation of imidazo[1,2-a]pyridines》. The information in the text is summarized as follows:

Synthesis of 2,6-disubstituted pyridines I (R = Ph, pyridin-3-yl, 3-methylphenyl, etc.; R1 = H, 4-Cl, 2-acetoxy, pivaloyloxy) from pyridotriazoles II through palladium-catalyzed aerobic oxidative denitrogenative reactions has been described. Denitrogenation of arylated pyridotriazoles II generates metal-carbene intermediates in situ and provides selectively 6-aryl-2-benzoylpyridines I. The same conditions have been extended to regioselective C-3 and C-8 diarylation of several imidazo[1,2-a]pyridines III (R2 = Ph, tert-Bu, 4-chlorophenyl, etc.; R3 = H, 3-Me, 4-F, etc.; R4 = H, 6-Me, 7-Me) and 3-(3-methoxyphenyl)-1-phenylbenzo[a]imidazo[5,1,2-cd]indolizine. In the experiment, the researchers used many compounds, for example, 1-Bromo-3-iodobenzene(cas: 591-18-4Quality Control of 1-Bromo-3-iodobenzene)

1-Bromo-3-iodobenzene(cas: 591-18-4) has been used in the preparation of 1-(3′-bromophenyl)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodec-1-ene and 1-(3′-bromophenyl)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene.Quality Control of 1-Bromo-3-iodobenzene Further, it is involved in the preparation of oxygen-tethered 1,6-enynes.

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

《Two-Photon Absorption Enhancement by the Inclusion of a Tropone Ring in Distorted Nanographene Ribbons》 was written by Castro-Fernandez, Silvia; Cruz, Carlos M.; Mariz, Ines F. A.; Marquez, Irene R.; Jimenez, Vicente G.; Palomino-Ruiz, Lucia; Cuerva, Juan M.; Macoas, Ermelinda; Campana, Araceli G.. Category: iodides-buliding-blocksThis research focused ontwo photon absorption tropone ring distorted nanographene ribbon; carbon materials; graphene; helicenes; nanostructures; nonlinear optics. The article conveys some information:

A new family of distorted ribbon-shaped nanographenes was designed, synthesized, and their optical and electrochem. properties were evaluated, pointing out an unprecedented correlation between their structural characteristics and the two-photon absorption (TPA) responses and electrochem. band gaps. Three nanographene ribbons have been prepared: a seven-membered-ring-containing nanographene presenting a tropone moiety at the edge, its full-carbon analog, and a purely hexagonal one. We have found that the TPA cross-sections and the electrochem. band gaps of the seven-membered-ring-containing compounds are higher and lower, resp., than those of the fully hexagonal polycyclic aromatic hydrocarbon (PAH). Interestingly, the inclusion of addnl. curvature has a pos. effect in terms of non-linear optical properties of those ribbons. In the experimental materials used by the author, we found 1-Bromo-4-iodobenzene(cas: 589-87-7Category: iodides-buliding-blocks)

1-Bromo-4-iodobenzene(cas: 589-87-7) is mainly used as the OLED pharmaceutical intermediate, as reagent for in situ desilylation and coupling of silylated alkynes, as substrate in copper-free Sonogashira coupling in aqueous acetone..Category: iodides-buliding-blocks It is also used in synthesis of β,β,dibromostyrenes, as starting reagent in the total syntheses of ent-conduramine A and ent-7-deoxypancratistatin (alkaloids)

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

《Effect of triptycene unit on the performance of porphyrin-based dye-sensitized solar cells》 was written by Yan, Mao; Wang, Qun-Hui; Zhu, Yi-Zhou; Han, Ming-Liang; Yan, Yi-Qiao; Zheng, Jian-Yu. Related Products of 619-58-9This research focused ontriptycene porphrin dye sensitized solar cell. The article conveys some information:

Triptycene has been first introduced into porphyrin sensitizers (JY74 and JY75) for dye sensitized solar cells. Compared to reference dye YD26, the homoarom. electron delocalization of triptycene makes the designed dyes a broadened absorption. Meanwhile, the rigid shape-persistent character of triptycene endows JY74 and JY75 an improved ability to diminish the charge recombination between electrolyte and semiconductor TiO2. As a result, after structural modification, larger short-circuit current and higher open-circuit voltage are achieved for dyes JY74 and JY75. The power conversion efficiency of JY75 is increased by 26.8 % compared to that of YD26. Consequently, triptycene may be a promising bulky steric hindrance group for decorating photosensitizer to get an attractive photovoltaic performance.4-Iodobenzoic acid(cas: 619-58-9Related Products of 619-58-9) was used in this study.

4-Iodobenzoic acid(cas: 619-58-9) belongs to organic iodides. Alkyl iodides react at a faster rate than alkyl fluorides due to the weak C-I bond.Iodo alkanes participate in a variety of organic synthesis reactions, which include the Simmons–Smith reaction (cyclopropanation using iodomethane), Williamson ether synthesis, Wittig reaction, Grignard reaction, alkyl coupling reactions, and Wurtz reaction.Related Products of 619-58-9

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Computed Properties of C5H4INIn 2021 ,《Steric Hindrance in Metal Coordination Drives the Separation of Pyridine Regioisomers Using Rhodium(II)-Based Metal-Organic Polyhedra》 was published in Angewandte Chemie, International Edition. The article was written by Hernandez-Lopez, Laura; Martinez-Esain, Jordi; Carne-Sanchez, Arnau; Grancha, Thais; Faraudo, Jordi; Maspoch, Daniel. The article contains the following contents:

The physicochem. similarity of isomers makes their chem. separation through conventional techniques energy intensive. Herein, we report that, instead of using traditional encapsulation-driven processes, steric hindrance in metal coordination on the outer surface of RhII-based metal-organic polyhedra (Rh-MOPs) can be used to sep. pyridine-based regioisomers via liquid-liquid extraction Through mol. dynamics simulations and wet experiments, we discovered that the capacity of pyridines to coordinatively bind to Rh-MOPs is determined by the positions of the pyridine substituents relative to the pyridine nitrogen and is influenced by steric hindrance. Thus, we exploited the differential solubility of bound and non-bound pyridine regioisomers to engineer liquid-liquid self-sorting systems. As a proof of concept, we separated four different equimol. mixtures of regioisomers, including a mixture of the industrially relevant compounds 2-chloropyridine and 3-chloropyridine, isolating highly pure compounds in all cases. In the part of experimental materials, we found many familiar compounds, such as 4-Iodopyridine(cas: 15854-87-2Computed Properties of C5H4IN)

4-Iodopyridine(cas: 15854-87-2) is a halogenated heterocycle that is a building block for proteomics research. 4-Iodopyridine is used as a reagent in the synthesis of indazolylamides as glucocorticoid receptor agonists.Computed Properties of C5H4IN

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Safety of 1-Bromo-3-iodobenzeneIn 2019 ,《Rhodium catalyzed synthesis of seleno-ketals via carbene transfer reactions of diazoesters》 was published in Chemical Communications (Cambridge, United Kingdom). The article was written by Jana, Sripati; Aseeva, Polina; Koenigs, Rene M.. The article contains the following contents:

Herein, rhodium catalyzed carbene transfer reactions of diazoesters with diselenides that result in the formal insertion reaction of the carbene fragment into the Se-Se bond to give seleno-ketals in up to 96% yield (35 examples) via an ionic mechanism is described. After reading the article, we found that the author used 1-Bromo-3-iodobenzene(cas: 591-18-4Safety of 1-Bromo-3-iodobenzene)

1-Bromo-3-iodobenzene(cas: 591-18-4) has been used in the preparation of 1-(3′-bromophenyl)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodec-1-ene and 1-(3′-bromophenyl)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene.Safety of 1-Bromo-3-iodobenzene

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Wang, Xinchao; Wang, Hang; Zhou, Chunlin; Yang, Lei; Fu, Lei; Li, Gang published an article in 2022. The article was titled 《Native carboxyl group-assisted C-H acetoxylation of hydrocinnamic and phenylacetic acids》, and you may find the article in Chemical Communications (Cambridge, United Kingdom).Application In Synthesis of 1-Bromo-3-iodobenzene The information in the text is summarized as follows:

A method of native carboxyl-assisted, Pd(II)-catalyzed ortho-C-H acetoxylation of both hydrocinnamic and phenylacetic acids 2-R-3-R1-4-R2C6H2CH(R3)CH2C(O)OH (R = H, Me, Cl, OCF3, etc.; R1 = Me, Br, CF3, etc.; R2 = Me, F, COOMe, etc.; R3 = H, Me, Et)/2-R4-3-R5-4-R6-5-R7C6HC(R8)(R9)C(O)OH (R4 = H, Me, I, etc.; R5 = H, OMe, CF3, etc.; R6 = F, OMe, COOMe, etc.; R7 = R8 = R8 = H, Me) that can be found in many biol. active mols. as the key moieties was reported. Based on the broad scope and the application potential showcased with drug mols., such as (ibuprofen, ketoprofen, and flurbiprofen) it is anticipated that this C-H acetoxylation reaction will find attractive applicability in future synthetic endeavors. In the experiment, the researchers used 1-Bromo-3-iodobenzene(cas: 591-18-4Application In Synthesis of 1-Bromo-3-iodobenzene)

1-Bromo-3-iodobenzene(cas: 591-18-4) has been used in the preparation of 1-(3′-bromophenyl)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodec-1-ene and 1-(3′-bromophenyl)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene.Application In Synthesis of 1-Bromo-3-iodobenzene Further, it is involved in the preparation of oxygen-tethered 1,6-enynes.

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Tanaka, Yuki; Bai, Shiqiang; Wang, Xizu; Tee, Si Yin; Lim, Siew Lay; Ke, Lin; Dolmanan, Surani B.; Lee, Coryl Jing Jun; Lim, Poh Chong; Yao, Xiang; Wu, Jishan; Han, Ming-Yong published an article in 2021. The article was titled 《Synthesis and optical and electronic properties of one-dimensional sulfoxonium-based hybrid metal halide (CH3)3SOPbI3》, and you may find the article in Chemical Communications (Cambridge, United Kingdom).Electric Literature of C3H9IOS The information in the text is summarized as follows:

The authors report the synthesis and optical and electronic properties of a one-dimensional sulfoxonium-based hybrid metal halide in an orthorhombic crystal system with a Pnma space group. To provide direct insights, a method is developed to calculate tolerance factors with the ionic radii of non-spherical cations from x-ray crystallog. data.Trimethylsulfoxonium iodide(cas: 1774-47-6Electric Literature of C3H9IOS) was used in this study.

Trimethylsulfoxonium iodide(cas: 1774-47-6) reacts with sodium hydride to prepare dimethyloxosulfonium methylide, which is used as a methylene-transfer reagent in synthetic chemistry. It is used to prepare ylide, which reacts with carbonyl compounds to get epoxides. Further, it reacts with alfa,beta-unsaturated esters to get cyclopropyl esters.Electric Literature of C3H9IOS

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com