Tag: M.W:200-300

A transition-metal-free approach to the alkylation/arylation of benzoxazole was developed by employing Tf2O-activated-amide as the alkylating/arylating reagent. The mild reaction conditions, and particularly insensitivity to air and water, further enhance the synthetic potential in pharmaceutical synthesis.

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Reference:
Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem

Welcome to the Chemical Union of benzoxazole, to introduce a new compound: 2377-81-3, Name is Tetrafluoroisophthalonitrile, molecular formula is C8F4N2, belongs to benzoxazole compound. In a document, author is Chong, MuiPhin, Product Details of 2377-81-3.

There is current interest in developing human hypoxia-inducible factor (HIF) prolyl hydroxylase domain (PHD) inhibitors for the treatment of anemia and other hypoxia-related diseases. We describe the synthesis of 3-carbamoylpropanoic acid derivatives and their evaluation as human PHD-2 inhibitors. MS assays indicated that derivatives with a 3-carbamoylpropanoic acids-containing benzoxazole moiety are inhibitors of PHD-2 with IC50 values of 2.24 mu M and 1.32 mu M, respectively. However, neither the acids nor their respective ethyl esters were observed to upregulate HIF-1 alpha levels in cells.

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Reference:
Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem

94790-35-9, molecular formula is C5H12ClF6N2P, molweight is 280.5794(g/mol), smiles is C[N+](C)=C(Cl)N(C)C.F[P-](F)(F)(F)(F)F. In this document, Anticancer activity of benzoxazole derivative (2015 onwards): a review. Related Products of 94790-35-9.

Background: According to the report published recently by the World Health Organization, the number of cancer cases in the world will increase to 22 million by 2030. So the anticancer drug research and development is taking place in the direction where the new entities are developed which are low in toxicity and are with improved activity. Benzoxazole and its derivative represent a very important class of heterocyclic compounds, which have a diverse therapeutic area. Recently, many active compounds synthesized are very effective; natural products isolated with benzoxazole moiety have also shown to be potent towards cancer. Main text: In the last few years, many research groups have designed and developed many novel compounds with benzoxazole as their backbone and checked their anticancer activity. In the review article, the recent developments (mostly after 2015) made in the direction of design and synthesis of new scaffolds with very potent anticancer activity are briefly described. The effect of various heterocycles attached to the benzoxazole and their effect on the anticancer activity are thoroughly studied and recorded in the review. Conclusion: These compiled data in the article will surely update the scientific community with the recent development in this area and will provide direction for further research in this area.

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Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem

1714-29-0, molecular formula is C16H9Br, molweight is 281.15(g/mol), MDLNum is MFCD00015767. In this document, SeO2 Mediated Synthesis of Selected Heterocycles by Oxidative C-C Bond Cleavage of AcetophenoneDerivatives. Category: benzoxazole.

An interestingcyclization reactions of aryl ketones with 2-amino aniline derivatives under SeO2 (oxidant) are described for the synthesis of benzoxazole, benzothiazole, benzimidazole and quinazolinone through the C-C cleavage of acetophenone. The reaction likely involves sequential C-N, C-O and C-S bond formation followed by C(CO)-C(alkyl) bond cleavage. Various substituted fused heterocycles are obtained in good to excellent (gram scale) yields in a single step from readily available acetophenones.

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Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem

22439-61-8, molecular formula is C12H7BrS, molweight is 263.15(g/mol), MDLNum is MFCD00089285. In this document, Aluminium(III) derivatives of N and O chelating ligands: Preparation, spectral [IR (H-1, C-13 and Al-27) NMR] and mass studies. Reference of 22439-61-8.

Reaction of Al(OPri)(3) with 2-(o-hydroxy phenyl)-benzimidazole (pbmzH) and 2-(o-hydroxy phenyl)-benzothiazole (pbtzH) in different molar ratio in benzene solution afforded complex of the types [(mu-OPri)Al-2(pbmz)(2)(OPri)(2)] 1, [Al(OPri)(pbmz)(2)] 2, [Al(pbmz)(3)] 3, [(mu-OPri)Al-2(pbtz)(2)(OPri)(2)] 4, [Al(OPri)(pbtz)(2)] 5 and [Al(pbtz)(3)] 6. All these white to creamy white solid complexes are soluble in common organic solvents (such as C6H6, CCl4, n-hexane, DMSO, DMF etc.) and were characterized by elemental (C, H, N and AI) analysis as well as spectral [IR (H-1, C-13 and Al-27) NMR] and mass studies. On the basis of these spectroscopic data a plausible structure tentatively has been proposed for these complexes.

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Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem

Reaction of 2-(2′-pyridyl) benzoxazole (2-PBO), 2-(4′-pyridyl)benzoxazole (4-PBO) and 2,2-(1,4-butanediyl)bis-1,3- benzoxazole (BBO) ligands with CuX (X = I, Br, SCN) afforded a binuclear copper(I) complex [Cu(2-PBO)(mu(2)-I)](2) (1) and three copper(I) coordination polymers [Cu-4(4-PBO)(4)(mu(3)-I)(4)](n) (2), {[Cu(4-PBO)(mu(3)-SCN)](2)}(n) (3) and {[Cu(BBO)(mu(2)-Br)](2)}(n) (4). The structural analysis revealed that the all copper(I) ions are four-coordinated and the geometric structure around the central copper(I) atom possessing slightly distorted tetrahedral geometry in complexes 1-4. Halogen or pseudohalide ions can not only act as counter anions, but also as ligands participation in coordination when the cuprous ion coordination sites are not saturated. Due to the different coordination modes of the benzoxazole ligands, in order to satisfy the tetra-coordination of cuprous ions, halogen or pseudohalide ions adopt mu(2) and/or mu(3)-bridging modes to synergistically complete coordination. Photoluminescence investigation show that complexes 1, 3 and 4 have two emission peaks, the high energy band peak is attributed to MLCT[d(10)(Cu)->pi*] and XMCT, the low energy band peak is caused by the (CC)-C-3 emission. This may be due to the presence of mu(2)-X (X = I, Br, S) in these complexes. However complex 2 only had one emission peak, which may be attributed to MLCT[d(10)(Cu)->pi*] and XMCT.

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Reference:
Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem

As the most studied and widely used chiral ligands, C6H4FI have been rapidly developed in recent decades due to their simple synthesis, easy modification, and the ability to achieve excellent results in multiple reactions. Quality Control of 1-Fluoro-4-iodobenzene.

Aims: The studied drug is lacking the presence of chromophore so a reaction with NBD-Cl is optimized to facilitate its chromatographic detection, so the main aim of the work is to quantify pamidronate in a sensitive and accurate way either in bulk or dosage forms. Methodology: The quantification of this group of drugs is a challenging task as they lack the presence of chromophore groups in their structure. The proposed method depends on the chromatographic quantification of the studied drug after its derivatization via its reaction with 4-Chloro-7-nitro-2,1,3-benzoxazole and the product is separated on ODS C18 column (5 mu m, 15 cm x 5 mm, i.d.) as a stationary phase and methanol : water (8:2, v/v) as a mobile phase. The flow rate was 1 ml/min. Results: The studied drug can be determined in the range of 900 – 3000 ng/mL after optimizing the assay conditions to get optimum stationary – mobile phases match. Method validation is performed according to USP-guidelines and different validation parameters like, linearity, accuracy, precision and robustness are calculated and found to be excellent. Conclusion: The proposed method is accurate, sensitive and can be applied for the routine analysis of pamidronate in quality control laboratories.

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Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem

The discovery of a new compound of 352-34-1 can be both undesirable and beneficial. Unexpected comples compound may bring with it unwanted properities, but intentionally finding one can lead to intentional improvenments of the physiochenical properties of the material. Category: benzoxazole

Nine thiosemicarbazone ligands (H2Ln, n = 1-9) containing benzothiazole or benzoxazole groups at the C(2) atom of the thiosemicarbazone have been prepared and characterized. A crystal structure study was performed on six of these free ligands and the role of the pi-pi interactions in the molecular association was analyzed. The coordination behavior of the thiosemicarbazones towards the {Re(CO)(3)}(+) fragment was investigated and three types of complexes were obtained: mononuclear fac-[ReX(H(2)Ln)(CO)(3)], X = Cl or Br, with bidentate ligands, dinuclear [Re-2(HLn)(2)(CO)(6)] with monodeprotonated bridging thiosemicarbazonates yielding Re2S2 cores and tetranuclear [Re-4(L-2)(2)(CO)(12)(EtOH)(2)] with an unusual bideprotonated thiosemicarbazonate ligand. The intermolecular interactions before and after metal coordination were analyzed. In the dinuclear complexes, two different approximate symmetries were observed depending on the relative orientation of the thiosemicarbazonate ligands with respect to the Re2S2 diamond. The intramolecular interactions in the dimers and their relationship with the two possible symmetric dispositions were analyzed. The findings, in conjunction with theoretical calculations, allowed the main stabilizing factors for each type of symmetry to be elucidated.

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Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem

Modeling chemical reactions helps engineers virtually understand the chemistry, optimal size and design of the system, and how it interacts with other physics that may come into play. Recommanded Product: 540-37-4, Name is 4-Iodoaniline, molecular formula is C6H6IN, molecular weight is 219.023, category is benzoxazole. Now introduce a scientific discovery about this category.

This article describes the multi-step synthesis of 2-(2-hydroxybenzofuran)benzoxazole (HBBO) derivatives functionalised with one to three oligo(ethylene glycol) (OEG) chains with the goal to allow a good vectorization in aqueous media. Benzoxazole dyes are well-known organic fluorophores exhibiting excited-state intramolecular proton transfer (ESIPT) emission. The insertion of these highly hydrophilic OEG chains allows a good solubilization of these dyes in a wide range of solvents of different polarity including PBS buffer/DMSO (95/5) and water, for one of them. The photophysical properties of these ESIPT emitters in solution, and also in the solid-state, as doped as 1 wt% in poly(methylmethacrylate) (PMMA) or polystyrene (PS) films, are discussed. Specifically, the presence of an OEG chain at the 3-position of the benzofuran ring was found to sizeably enhance the fluorescence intensity of the ESIPT emission in the solution state.

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Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem

Why do aromatic interactions matter? In this blog, let’s explore why it’s so important to understand aromatic interactions using C16H9Br as examples. Electric Literature of 1714-29-0

Thermal rearrangement of a-functional polyimide membranes into poly(benzoxazole) improves the permselectivity performance compared to the precursor polymer. This is due to the bimodal cavity size distribution generated through the TR process. The cavity volume can be further increased by including segments within the polyimide that undergo degradation at a lower temperature than the TR process. The loss of these segments leaves behind cavity space that can be used to increase gas permeability. This is achieved here for copolymers based on 4,4′-hexafluoroisopropylidene diphthalic anhydride (6FDA) and 3,3′-dihydroxy-4,4′-diamino-biphenyl (HAB) with poly (ethylene glycol) segments, where the PEG segments undergo thermal degradation below the PI to PBO transition temperature. HAB-6FDA-PEG copolymer membranes, with different weight % PEG, had poor permselectivity for CO2-N-2 and CO2-CH4 separation. Undertaking thermal treatment to degrade the PEG segments but retaining the PI polymer resulted in an increased fractional free volume of the resulting membrane and higher gas permeability, but a corresponding loss of CO2 selectivity. Producing TR-PBO from the copolymers through thermal rearrangement at 450 degrees C, improved the gas permeability of the resulting membranes by over an order of magnitude, as well as improving the CO2 selectivity. This was attributed to the degradation of the PEG segments increasing the FFV of the membranes, resulting in over a third of the polymers’ morphology being free volume. The resulting TR-PBO membranes formed from copolymers with PEG segment had enhanced permselectivity performance compared to TR-PBO formed from the polyimide homopolymer.

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Reference:
Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem