A new application about 5-Fluoro-2-methylbenzo[d]oxazole

Balanced chemical reaction does not necessarily reveal either the individual elementary reactions by which a reaction occurs or its rate law.Electric Literature of 701-16-6. In my other articles, you can also check out more blogs about 701-16-6

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VOLTAGE-DEPENDENT T-TYPE CALCIUM CHANNEL INHIBITOR

A compound represented by the following General Formula (I), a tautomer or a stereoisomer of the compound, a pharmaceutically acceptable salt thereof, or a solvate thereof, is used as a voltage-dependent T-type calcium channel blocker: wherein A represents a fused ring which may have a substituent, the fused ring being composed of a 5-membered heteroaryl group or a 5-membered or 6-membered heterocyclic ring and a benzene ring or the like, the 5-membered heteroaryl group having one to three identical or different heteroatoms as a ring-constituting element(s) having at least one substituent such as an alkoxy group having 1 to 8 carbon atoms and substituted with 1 to 5 halogen atoms; R represents a hydrogen atom or the like; B represents CR5(Q1) or NQ2, herein Q1 represents a benzimidazole group which may have a substituent; Q2 represents an alkyl group having 1 to 8 carbon atoms which may have a substituent, a heteroaryl group which may have a substituent, or the like; R0, R1, R2, R3, R4, and R5 each represent a hydrogen atom or the like; and n and m each represent 0, 1, or 2, provide that n and m are not 0 and 2 at the same time.

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Reference£º
Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem

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In homogeneous catalysis, the catalyst is in the same phase as the reactant. The number of collisions between reactants and catalyst is at a maximum.In a patent, 701-16-6, name is 5-Fluoro-2-methylbenzo[d]oxazole, introducing its new discovery. SDS of cas: 701-16-6

Cu-catalyzed Asymmetric Dearomative [3 + 2] Cycloaddition Reaction of Benzazoles with Aminocyclopropanes

The enantioselective dearomative [3 + 2] cycloaddition reaction of benzazoles with aminocyclopropanes has been successfully developed. In the presence of a copper complex, derived from Cu(OTf)2 and bisoxazoline, a series of hydropyrrolo-benzazole derivatives containing quaternary stereogenic centers were obtained in high yields with excellent enantioselectivity. This method could also provide 2-amino cyclopropanes with high enantiomeric purity by an efficient kinetic resolution. In addition, products could be transformed to pyrrolo-benzothiazines and 1,5-benzothiazepines. Chiral compounds are of great significance in many areas given that two corresponding enantiomers could have completely different properties in chiral environments. Therefore, technologies used to produce chiral compounds in their enantiopure form are particularly attractive and highly desirable. Catalytic asymmetric dearomatization reactions have become efficient methods for the construction of chiral fused- or spiro-heterocycles from simple aromatics. Polyheterocyclic structures containing a hydropyrrolo-azole motif are found extensively in natural products and biologically active compounds. Therefore, efficient methods for constructing complex chiral hydropyrrolo-azole compounds will benefit the lead identification in drug discovery. Herein, we report the highly enantioselective construction of hydropyrrolo-benzazoles via copper-catalyzed dearomative [3 + 2] cycloaddition of benzazoles with donor-acceptor aminocyclopropanes. Heterocycles are a very important class of compounds that exist extensively as structural cores in natural products and biologically active molecules. Catalytic asymmetric dearomatization (CADA) is an efficient strategy for the construction of chiral fused- or spiro-heterocycles from simple planar aromatic compounds. Herein, we report the development of enantioselective dearomative [3 + 2] cycloaddition reactions of benzazoles with aminocyclopropanes via kinetic resolution. In the presence of a copper complex, derived from Cu(OTf)2 and bisoxazoline, a series of hydropyrrolo-benzazole derivatives containing quaternary stereogenic centers were obtained in high yields (up to 99%) with excellent enantioselectivity (up to 99% enantiomeric excess [ee]). With the same catalytic system, 2-amino cyclopropane-1,1-dicarboxylates with a high enantiomeric purity (up to 98% ee) were also obtained by an efficient kinetic resolution (s values of up to 95). In addition, the utility of this method was showcased by the facile transformation of products into several important heterocyclic frameworks, including pyrrolo-benzothiazine and 1,5-benzothiazepine.

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Reference£º
Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem

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Utility of Nitrogen Extrusion of Azido Complexes for the Synthesis of Nitriles, Benzoxazoles, and Benzisoxazoles

The utility of the nitrogen extrusion reaction of azido complexes, generated in situ from the corresponding aldehydes or ketones with TMSN3 in the presence of ZrCl4 or TfOH, has been described. These azido complexes could undergo three different pathways, depending on the substrates. First, azido methanolate complexes or imine diazonium ions could lead to benzisoxazole products via an intramolecular nucleophilic substitution. Second, imine diazonium ions could also undergo either the elimination of proton to provide nitrile products in good to excellent yields or an aryl migration, followed by an intramolecular nucleophilic addition, to give benzoxazole products in good yields.

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Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem

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Note that a catalyst decreases the activation energy for both the forward and the reverse reactions and hence accelerates both the forward and the reverse reactions.HPLC of Formula: C8H6FNO, you can also check out more blogs about701-16-6

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Mass spectra of halogenostyrylbenzoxazoles

Several series of styrylbenzoxazoles of general formula XC 6H3(NCO)CHCHC6H4Y [X = F, Cl or Br; Y = H, F, Cl, Br, CH3 or CH3O] have been investigated by positive ion electrospray and electron ionization mass spectrometry. These compounds, many of which are biologically active or have pharmaceutical potential, show in their electrospray spectra strong peaks for MH+ ions, which undergo relatively little fragmentation. The electron ionization spectra are extremely clean, being dominated by the loss of an atom or radical, Y, from the ortho position of the pendant ring, by a rearrangement that may be interpreted as a proximity effect. The resultant [M-Y]+ ions are exceptionally stable and rarely undergo further fragmentation. The analytical value of this proximity effect, which is analogous to intramolecular aromatic substitution, in revealing the presence of a substituent in the pendant ring and determining its position, is emphasized. Elimination of a species (including H or F) derived from an ortho substituent in the pendant ring occurs even when apparently more favourable alternative fragmentation is possible by direct cleavage of the CX bond (X = Cl or Br) in the benzoxazole ring.

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Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem

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Thermodynamic properties of naphthoxazole and naphthothiazole derivatives: Experimental and computational studies

The energetic study of 2-methylnaphtho[1,2-d]oxazole (MN12O), 2-methylnaphtho-[2,3-d]oxazole (MN23O) and 2-methylnaphtho[1,2-d]thiazole (MN12T) has been performed experimental and computationally. The enthalpies of combustion and sublimation/vaporization of these compounds were determined, respectively, from static or rotating bomb combustion calorimetry and high temperature Calvet microcalorimetry and/or the Knudsen-effusion studies. These experimental data allow derivation of the corresponding gas-phase standard molar enthalpies of formation of the three compounds. Additionally, we have obtained the gas-phase standard molar enthalpies of formation of these three compounds, as well of the 2-methylnaphtho[2,3-d]thiazole (MN23T), through high level ab initio calculations, at the G3(MP2)//B3LYP and DLPNO-CCSD(T)/cc-pVTZ levels of theory. The computational study of the molecular structures of the compounds has been carried out. Furthermore, a relationship between the energetic and structural characteristics of these molecules was also evaluated.

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Reference£º
Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem

A new application about 5-Fluoro-2-methylbenzo[d]oxazole

The proportionality constant is the rate constant for the particular unimolecular reaction. the reaction rate is directly proportional to the concentration of the reactant. I hope my blog about 701-16-6 is helpful to your research. Synthetic Route of 701-16-6

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Multicatalytic Beckmann rearrangement of 2-hydroxylarylketone oxime: Switchable synthesis of benzo[d]oxazoles and N-(2-hydroxylaryl)amides

A switchable synthesis route is developed for benzo[d]oxazole derivatives and (2-hydroxylaryl)benzamide from 2-hydroxylbenzeneketoxime using organomolecules (BOP-Cl, and CNC) and Lewis acid cocatalyzed Beckmann rearrangement (BR) reaction. Further, this reaction is switched using different organocatalysts.

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Reference£º
Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem

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Copper-Catalyzed Regio- and Enantioselective Addition of Silicon Grignard Reagents to Alkenes Activated by Azaaryl Groups

A new application of silicon Grignard reagents in C(sp3)?Si bond formation is reported. With the aid of BF3?OEt2, these silicon nucleophiles add across alkenes activated by various azaaryl groups under copper catalysis. An enantioselective version employing benzoxazole-activated alkenes as substrates and a CuI-josiphos complex as catalyst has been developed, forming the C(sp3)?Si bond with good to high enantiomeric ratios (up to 97:3). The method expands the toolbox for ?conjugate addition? type C(sp3)?Si bond formation.

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Reference£º
Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem

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In homogeneous catalysis, the catalyst is in the same phase as the reactant. The number of collisions between reactants and catalyst is at a maximum.In a patent, 701-16-6, name is 5-Fluoro-2-methylbenzo[d]oxazole, introducing its new discovery. Recommanded Product: 701-16-6

ANDROGEN RECEPTOR ANTAGONISTS

Compounds that inhibit the androgen receptor, pharmaceutical compositions comprising one or more of the compounds, as well as methods of treating cancer using such compounds are described.

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Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem

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Experimental and computational thermochemical study of two fluorobenzazoles: 5-fluoro-2-methylbenzoxazole and 5-fluoro-2-methylbenzothiazole

An energetic study of 5-fluoro-2-methylbenzoxazole (FMBO) and of 5-fluoro-2-methylbenzothiazole (FMBT), in condensed and gaseous states, has been performed using calorimetric techniques and computational calculations. The standard (p?=0.1MPa) molar enthalpies of formation of FMBO and FMBT, in the liquid phase, at T = 298.15 K, were derived from the corresponding standard molar energies of combustion, measured by rotating-bomb combustion calorimetry. At T = 298.15 K, the standard (p?=0.1MPa) molar enthalpy of vaporization, for each compound, was determined, by a direct method, using the vacuum drop microcalorimetric technique. For each compound, from this last value and from the enthalpy of formation of the liquid compounds, the corresponding standard (p?=0.1MPa) enthalpy of formation in the gaseous phase has been calculated. Additionally, the gas-phase standard molar enthalpies of formation of these two compounds were estimated computationally at the G3(MP2)//B3LYP level of theory, as well as their gas-phase basicities and proton affinities.

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Reference£º
Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem

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Indium-mediated one-pot synthesis of benzoxazoles or oxazoles from 2-nitrophenols or 1-aryl-2-nitroethanones

One-pot reduction-triggered heterocyclizations from 2-nitrophenols to benzoxazoles and from 1-aryl-2-nitroethanones to oxazoles were investigated. In the presence of indium/AcOH in benzene at reflux, 2-nitrophenols and R-C(OMe)3 (R=H, Me, Ph) produced excellent yields of corresponding benzoxazoles within an hour. Similarly, 1-aryl-2-nitroethanones and Ph-C(OMe)3 in the presence of indium/AcOH in acetonitrile transformed into the corresponding oxazoles with good yields.

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Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem