Tag: 100-200

《NHC-catalyzed silylative dehydration of primary amides to nitriles at room temperature》 was written by Hota, Pradip Kumar; Maji, Subir; Ahmed, Jasimuddin; Rajendran, N. M.; Mandal, Swadhin K.. Product Details of 2042-37-7 And the article was included in Chemical Communications (Cambridge, United Kingdom) in 2020. The article conveys some information:

In the presence of the abnormal imidazolylidene carbene I, primary amides underwent chemoselective dehydrogenative dehydration reactions with phenylsilane to yield nitriles; the method bypasses the energetically demanding 1,2-siloxane elimination step usually required for metal/silane catalyzed reactions. The mechanism of the was dehydrogenative dehydration studied using DFT calculations of the transition state structures and their free energies and enthalpies on the dehydration pathway; a silane adduct of I was characterized by NMR and evidence for the formation of H2 and of a disiloxane byproduct provided. In the experiment, the researchers used many compounds, for example, 2-Bromobenzonitrile(cas: 2042-37-7Product Details of 2042-37-7)

2-Bromobenzonitrile(cas: 2042-37-7) is used as a starting material to synthesize novel benzothiophene derivatives that were found to exhibit antibacterial and antifungal activity. It is commonly employed in reactions that require an electron-rich species to carry out nucleophilic substitution (or addition) reactions.Product Details of 2042-37-7

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Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

SDS of cas: 17201-43-3In 2019 ,《Modulating the expression of chirality in a mechanically chiral rotaxane》 was published in Chemical Communications (Cambridge, United Kingdom). The article was written by Gell, Charles E.; McArdle-Ismaguilov, Timur A.; Evans, Nicholas H.. The article contains the following contents:

The expression of mech. chirality by a hydrogen bond templated rotaxane, as detected by 1H NMR spectroscopy, may be modulated by affecting the co-conformational behavior of the rotaxane through varying solvent or by addition of acid and base. The experimental process involved the reaction of 4-Cyanobenzyl bromide(cas: 17201-43-3SDS of cas: 17201-43-3)

4-Cyanobenzyl bromide(cas: 17201-43-3) can reacts with 2H-tetrazole in the presence of KOH to yield 4-[(2H-tetra-zol-2-yl)methyl]benzonitrile. And it may be used in the synthesis of ligands containing a chelating pyrazolyl-pyridine group with a pendant aromatic nitrile.SDS of cas: 17201-43-3

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Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Sethi, Navjot S.; Prasad, Deo N.; Singh, Rajesh K. published their research in Medicinal Chemistry (Sharjah, United Arab Emirates) in 2021. The article was titled 《Synthesis, Anticancer, and Antibacterial Studies of Benzylidene Bearing 5-substituted and 3,5-disubstituted-2,4-Thiazolidinedione Derivatives》.Application of 17201-43-3 The article contains the following contents:

To develop novel compounds having potent anticancer and antibacterial activities. Several studies have proved that benzylidene analogs of clin. 2,4-TZDs, such as troglitazone and ciglitazone, have more potent antiproliferative activity than their parent compounds Literature studies also revealed that the attachment of more heterocyclic rings, containing nitrogen on 5th position of 2,4-TZD, can enhance the antimicrobial activity. Hence, attachment of various moieties on the benzylidene ring may produce safe and effective compounds in the future. The objective of the present study was to synthesize a set of novel benzylidene ring containing 5- and 3-substituted-2,4-thiazolidinedione derivatives and evaluate them for their anticancer and antibacterial activity. The synthesized compounds were characterized by IR, NMR, mass, and elemental studies. The in vitro cytotoxicity studies were performed for human breast cancer (MCF-7) and human lung cancer (A549) cells and HepG2 cell-line and compared to standard drug doxorubicin by MTT assay. Antimicrobial activity of the synthesized 2,4-thiazolidinediones derivatives was carried out using the cup plate method with slight modification. The results obtained showed that TZ-5 and TZ-13 exhibited good antiproliferative activity against A549 cancer cell-line, whereas TZ-10 exhibited moderate antiproliferative activity against HepG2 cell-line when compared to standard drug doxorubicin. TZ-5 also exhibited reasonable activity against the MCF-7 cell-line with doxorubicin as standard TZ-4, TZ-5, TZ-6, TZ-7, and TZ- 16 exhibited remarkable antibacterial activity against Gram pos. and moderate activity against Gram neg. bacteria with the standard drug ciprofloxacin. Attachment of heterocyclic rings containing nitrogen as the hetero atom improves the anticancer and antimicrobial potential. Attachment of electroneg. elements like halogens can also enhance the antimicrobial activity. Further structure modifications may lead to the development of more potent 2,4-TZD leads that can be evaluated for further advanced studies. In the part of experimental materials, we found many familiar compounds, such as 4-Cyanobenzyl bromide(cas: 17201-43-3Application of 17201-43-3)

4-Cyanobenzyl bromide(cas: 17201-43-3) is used in the synthesis of ligands containing a chelating pyrazolyl-pyridine group with a pendant aromatic nitrile. It is also useful in the preparation of 4-[(2H-tetra-zol-2-yl)methyl]benzonitrile by reaction with 2H-tetrazole in the presence of potassium hydroxide.Application of 17201-43-3

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

In 2019,Chemical Communications (Cambridge, United Kingdom) included an article by Echemendia, Radell; da Silva, Gustavo P.; Kawamura, Meire Y.; de la Torre, Alexander F.; Correa, Arlene G.; Ferreira, Marco A. B.; Rivera, Daniel G.; Paixao, Marcio W.. COA of Formula: C9H7NO. The article was titled 《A stereoselective sequential organocascade and multicomponent approach for the preparation of tetrahydropyridines and chimeric derivatives》. The information in the text is summarized as follows:

A stereoselective multicomponent approach leading to a novel class of pentasubstituted tetrahydropyridines was described. Variation of the components enabled the incorporation of peptide, sugar and steroid moieties to access chimeric derivatives DFT calculations provided insights about the unprecedented high diastereoselectivity of the MCR.3-Oxo-3-phenylpropanenitrile(cas: 614-16-4COA of Formula: C9H7NO) was used in this study.

3-Oxo-3-phenylpropanenitrile(cas: 614-16-4) has been used to produce 2-benzoyl-3-furan-2-yl-acrylonitrile. It is an active methylene compound, useful in heterocyclic synthesis, e.g. polyfunctional pyridines and pyrimidines.COA of Formula: C9H7NO

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Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Mokhtar, Mohamed; Alghamdi, Khadijah S.; Ahmed, Nesreen S.; Bakhotmah, Dina; Saleh, Tamer S. published their research in Journal of Enzyme Inhibition and Medicinal Chemistry in 2021. The article was titled 《Design and green synthesis of novel quinolinone derivatives of potential anti-breast cancer activity against MCF-7 cell line targeting multi-receptor tyrosine kinases》.Name: 3-Oxo-3-phenylpropanenitrile The article contains the following contents:

A new set of 4,6,7,8-tetrahydroquinolin-5(1H)-ones were designed as cytotoxic agents against breast cancer cell line (MCF-7) and synthesized under ultrasonic irradiation using chitosan decorated copper nanoparticles (CS/CuNPs) catalyst. The new compounds , , , and exhibited the most potent cytotoxic activity of IC50 values (0.002 – 0.004μM) comparing to Staurosporine of IC50; 0.005μM. The latter derivatives exhibited a promising safety profile against the normal human WI38 cells of IC50 range 0.0149 – 0.048μM. Furthermore, the most promising cytotoxic compounds , were evaluated as multi-targeting agents against the RTK protein kinases; EGFR, HER-2, PDGFR-β, and VEGFR-2. Compound 4j showed promising inhibitory activity against HER-2 and PDGFR-β of IC50 values 0.17 x 10-3, 0.07 x 10-3μM in comparison with the reference drug sorafenib of IC50; 0.28 x 10-3, 0.13 x 10-3μM, resp. In addition, induced apoptotic effect and cell cycle arrest at G2/M phase preventing the mitotic cycle in MCF-7 cells. In the part of experimental materials, we found many familiar compounds, such as 3-Oxo-3-phenylpropanenitrile(cas: 614-16-4Name: 3-Oxo-3-phenylpropanenitrile)

3-Oxo-3-phenylpropanenitrile(cas: 614-16-4) has been used to produce 2-benzoyl-3-furan-2-yl-acrylonitrile. It is an active methylene compound, useful in heterocyclic synthesis, e.g. polyfunctional pyridines and pyrimidines.Name: 3-Oxo-3-phenylpropanenitrile

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

《Scope and mechanism of nitrile dihydroboration mediated by a β-diketiminate manganese hydride catalyst》 was written by Nguyen, Thao T.; Kim, Jun-Hyeong; Kim, Suyeon; Oh, Changjin; Flores, Marco; Groy, Thomas L.; Baik, Mu-Hyun; Trovitch, Ryan J.. Recommanded Product: 4-Fluorobenzonitrile And the article was included in Chemical Communications (Cambridge, United Kingdom) in 2020. The article conveys some information:

The Manganese hydride dimer, [(2,6-iPr2PhBDI)Mn(μ-H)]2, was found to mediate nitrile dihydroboration, rendering it the 1st Mn catalyst for this transformation. Stoichiometric experiments revealed that benzonitrile insertion affords [(2,6-iPr2PhBDI)Mn(μ-NCHC6H5)]2 en route to N,N-diborylamine formation. D. functional theory calculations reveal the precise mechanism and demonstrate that catalysis is promoted by monomeric species. In the part of experimental materials, we found many familiar compounds, such as 4-Fluorobenzonitrile(cas: 1194-02-1Recommanded Product: 4-Fluorobenzonitrile)

4-Fluorobenzonitrile(cas: 1194-02-1) is used as chemical intermediate, solvent for perfumes and pharmaceuticals, stabilizer for chlorinated solvents, HPLC analysis, catalyst and component of transition-metal complex catalysts.Recommanded Product: 4-Fluorobenzonitrile

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Nitrile – Wikipedia,
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《Two-step gas adsorption induced by the transmetalation in a two-dimensional metal-organic framework》 was published in Chemical Communications (Cambridge, United Kingdom) in 2020. These research results belong to Park, Hye Jeong; Oh, Jongbum; Kim, Jiwon; Kim, Jaheon. Related Products of 1194-02-1 The article mentions the following:

Transmetalation or replacement of Zn2+ ions with Cu2+ ions in a two-dimensional metal-organic framework, Zn3(TCPB)2(H2O)2 (H3TCPB = 1,3,5-tri(4-carboxyphenoxy)benzene), gives rise to addnl. gas adsorption, where the addnl. adsorption amount linearly depends on the degree of the transmetalation. The experimental process involved the reaction of 4-Fluorobenzonitrile(cas: 1194-02-1Related Products of 1194-02-1)

4-Fluorobenzonitrile(cas: 1194-02-1) is used as chemical intermediate, solvent for perfumes and pharmaceuticals, stabilizer for chlorinated solvents, HPLC analysis, catalyst and component of transition-metal complex catalysts.Related Products of 1194-02-1

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

In 2014,Mentese, Emre; Bektas, Hakan; Uelker, Serdar; Bekircan, Olcay; Kahveci, Bahittin published 《Microwave-assisted synthesis of new benzimidazole derivatives with lipase inhibition activity》.Journal of Enzyme Inhibition and Medicinal Chemistry published the findings.Product Details of 31938-07-5 The information in the text is summarized as follows:

A practical protocol was used for the synthesis of benzimidazoles. The reaction of Et phenylacetimidate hydrochlorides with 4,5-dichloro-1,2-phenylenediamine under microwave irradiation leads to the benzimidazole derivatives with good yields and in short reaction times. The corresponding ester and hydrazide derivatives were synthesized subsequently under microwave irradiation with good yields. All compounds were evaluated with regard to pancreatic lipase activity and benzimidazoles I (R = H, R1 = Br; R = Br, R1 = H) and II (R = H, CH2CO2Me) showed lipase inhibition at various concentrations2-(3-Bromophenyl)acetonitrile(cas: 31938-07-5Product Details of 31938-07-5) was used in this study.

According to other reports, 2-(3-Bromophenyl)acetonitrile(cas: 31938-07-5) is used in the preparation of diarylpyrimidines (DAPYs) as HIV-1 non-nucleoside reverse transcriptase inhibitors.Product Details of 31938-07-5

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Nitrile – Wikipedia,
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Computed Properties of C8H6BrNIn 2019 ,《Self-assembly of a “”cationic-cage”” via the formation of Ag-carbene bonds followed by imine condensation》 was published in Chemical Communications (Cambridge, United Kingdom). The article was written by Modak, Ritwik; Mondal, Bijnaneswar; Howlader, Prodip; Mukherjee, Partha Sarathi. The article contains the following contents:

A new strategy for the synthesis of a “”cationic-cage”” (CC-Ag) has been developed via metal-carbene (M-CNHC) bond formation followed by imine bond condensation. Reaction of a trigonal trisimidazolium salt H3L(PF6)3 functionalized with three flexible N-phenyl-aldehyde pendants with silver oxide yielded a trinuclear tricationic organometallic cage (OC-Ag). Subsequent treatment of the organometallic cage (OC-Ag) with 1,4-diaminobutane links the two tris-NHC ligands via imine bond condensation, which thus generates a 3D ‘cationic-cage’ (CC-Ag). Furthermore, post-synthetic replacement of the Ag(I) with Au(I) leading to the formation of CC-Au was achieved via trans-metalation, with the retention of the mol. architecture. In the experiment, the researchers used many compounds, for example, 4-Cyanobenzyl bromide(cas: 17201-43-3Computed Properties of C8H6BrN)

4-Cyanobenzyl bromide(cas: 17201-43-3) can reacts with 2H-tetrazole in the presence of KOH to yield 4-[(2H-tetra-zol-2-yl)methyl]benzonitrile. And it may be used in the synthesis of ligands containing a chelating pyrazolyl-pyridine group with a pendant aromatic nitrile.Computed Properties of C8H6BrN

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Yang, Ren-Yin; Wang, Hui; Xu, Bo published their research in Chemical Communications (Cambridge, United Kingdom) in 2021. The article was titled 《Base promoted gem-difluoroolefination of alkyl triflones》.Recommanded Product: 4-Cyanobenzyl bromide The article contains the following contents:

A new synthesis of gem-difluoroalkenes ArC(R)=CF2 [Ar = 4-bromophenyl, naphthalen-2-yl, 5-(methoxycarbonyl)thiophen-2-yl, etc.; R = prop-2-en-1-yl, 3-phenylprop-2-yn-1-yl, (4-methylphenyl)methyl, etc.] from readily available alkyl triflones ArCH(R)S(O)2CF3 and difluorocarbene precursors such as TMSCF2Br has been reported. The reaction, regardless of electronic effect, gives gem-difluoroalkenes ArC(R)=CF2 in good to excellent yields. The mechanism may involve deprotonation of triflones, nucleophilic addition, and the elimination of SO2CF3. In the experiment, the researchers used 4-Cyanobenzyl bromide(cas: 17201-43-3Recommanded Product: 4-Cyanobenzyl bromide)

4-Cyanobenzyl bromide(cas: 17201-43-3) is a white solid. Its melting point is 113-117°C, and flash point is 125.1°C. It is insoluble in water at 20°C. It is stable under normal temperatures and pressures. It should be stored at 0-5°C.Recommanded Product: 4-Cyanobenzyl bromide

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts