Month: December 2022

Zhang, Shaoke published the artcileTowards a practical perfluoroalkylation of (hetero)arenes with perfluoroalkyl bromides using cobalt nanocatalysts, Computed Properties of 930-36-9, the publication is Catalysis Science & Technology (2020), 10(6), 1731-1738, database is CAplus.

A convenient methodol. for perfluoroalkylation including trifluoromethylation of (hetero)arenes with perfluoroalkyl bromides was developed. Key for the success is the use of a specific cobalt-based nanocatalyst, which can be recycled at least up to 4 times. The scope of this first cobalt-catalyzed perfluoroalkylation is presented.

Catalysis Science & Technology published new progress about 930-36-9. 930-36-9 belongs to pyrazoles-derivatives, auxiliary class Pyrazole, name is 1-Methylpyrazole, and the molecular formula is C14H26O2, Computed Properties of 930-36-9.

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

Xu, Li published the artcileSupramolecular structure of bis(4-benzoyl-3-methyl-1-phenyl-5-(2H)-2-pyrazolonato)copper(II), COA of Formula: C17H14N2O2, the publication is Asian Journal of Chemistry (2013), 25(13), 7629-7630, database is CAplus.

The mol. of the Cu(II) complex with the empirical formula C₃₄H₂₆N₄O₄Cu, bis(4-benzoyl-3-methyl-1-phenyl-5(2H)-2-pyrazolonato)copper(II), is rigorously centrosym. [symmetry codes: -x + 1, -y + 1, -z + 1]. Each Cu(II) atom is four-coordinated by two O atoms (O1 and O1#) from pyrazolone ring in deprotonated enol-form and other two O atoms (O2 and O2#) in carbonyl-form forming a rigorously square planar geometry. In the crystal structure, weak intermol. C-H···O H bonds link the title mols. into an infinite 1-dimensional supramol. chains structure.

Asian Journal of Chemistry published new progress about 4551-69-3. 4551-69-3 belongs to pyrazoles-derivatives, auxiliary class Benzenes, name is 4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, and the molecular formula is C28H18O4, COA of Formula: C17H14N2O2.

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

Bookser, Brett C. published the artcileSolvent-Controlled, Site-Selective N-Alkylation Reactions of Azolo-Fused Ring Heterocycles at N1-, N2-, and N3-Positions, Including Pyrazolo[3,4-d]pyrimidines, Purines, [1,2,3]Triazolo[4,5]pyridines, and Related Deaza-Compounds, Application In Synthesis of 1268520-92-8, the publication is Journal of Organic Chemistry (2018), 83(12), 6334-6353, database is CAplus and MEDLINE.

Alkylation of 4-methoxy-1H-pyrazolo[3,4-d]pyrimidine (1b) with iodomethane in THF using NaHMDS as base selectively provided N2-Me product 4-methoxy-2-methyl-2H-pyrazolo[3,4-d]pyrimidine (3b) in an 8/1 ratio over N1-Me product (2b). Interestingly, conducting the reaction in DMSO reversed selectivity to provide a 4/1 ratio of N1/N2 methylated products. Crystal structures of product 3b with N1 and N7 coordinated to sodium indicated a potential role for the latter reinforcing the N2-selectivity. Limits of selectivity were tested with 26 heterocycles which revealed that N7 was a controlling element directing alkylations to favor N2 for pyrazolo- and N3 for imidazo- and triazolo-fused ring heterocycles when conducted in THF. Use of ¹H-detected pulsed field gradient-stimulated echo (PFG-STE) NMR defined the mol. weights of ionic reactive complexes. This data and DFT charge distribution calculations suggest close ion pairs (CIPs) or tight ion pairs (TIPs) control alkylation selectivity in THF and solvent-separated ion pairs (SIPs) are the reactive species in DMSO.

Journal of Organic Chemistry published new progress about 1268520-92-8. 1268520-92-8 belongs to pyrazoles-derivatives, auxiliary class Other Aromatic Heterocyclic,Chloride, name is 4-Chloro-1-methyl-1H-pyrazolo[3,4-b]pyridine, and the molecular formula is C7H6ClN3, Application In Synthesis of 1268520-92-8.

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

Zong, Ziao published the artcileCrystal structures and anticancer activities of five novel pyrazolone-enamine transition metal complexes with 4-benzoyl-3-methyl-1-phenyl-2-pyrazolin-5-one, Synthetic Route of 4551-69-3, the publication is Journal of Molecular Structure (2018), 333-339, database is CAplus.

Three pyrazolone-enamine ligands HL¹, HL² and H₂L³ were synthesized by the reaction of 4-benzoyl-3-methyl-1-phenyl-2-pyrazolin-5-one (HPMBP) with Me 4-aminophenylacetate, 4-aminobenzamide and 2-amino-5-methylphenol, resp., followed by tautomeric reactions. Their complexes [Zn(L¹)₂] (1), [Co(L²)₂(H₂O)₂] (2), [CuL³(H₂O)₂] (3a), [ZnL³(H₂O)₂] (3b) and [CdL³(H₂O)₂] (3c) were synthesized and characterized by single-crystal x-ray, IR, elemental anal., ¹H NMR, TGA. Single-crystal x-ray anal. reveals that HL¹, complex 1 and complex 2 are all connected by hydrogen bonds, C-H···π interactions and van der Waals forces to form the 3-D network. The Zn(II) ion in complex 1 is four coordinated to two L¹ ligands. The Co(II) ion in complex 2 is six coordinated to two L² ligands and two water mols. The metal ions in complexes 3a, 3b and 3c are five coordinated to one L³ ligand and two water mols. After coordination, the structures of the ligands reversed to the Schiff base structures. Moreover, the anticancer activities were investigated, complexes 3a and 3b can effectively inhibit the proliferation of human breast cancer MDA-MB-231 cells. Besides, complexes 1, 2, 3b and 3c exhibit excellent luminescence properties.

Journal of Molecular Structure published new progress about 4551-69-3. 4551-69-3 belongs to pyrazoles-derivatives, auxiliary class Benzenes, name is 4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, and the molecular formula is C37H30ClIrOP2, Synthetic Route of 4551-69-3.

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

Zhu, Ye-Fu published the artcileSynthesis of pyrazolones and pyrazoles via Pd-catalyzed aerobic oxidative dehydrogenation, Formula: C10H9ClN2O, the publication is Tetrahedron Letters (2019), 60(17), 1202-1205, database is CAplus.

A novel, ligand free and easily accessible approach for the synthesis of pyrazolones I [R¹ = Me, t-Bu, Ph, etc.; R² = H, 4-Me, 2-Cl, etc.] and pyrazoles II [R³ = H, 4-Me, 3,4,5-tri-OMe; R⁴ = Me, CF₃; R⁵ = H, 4-Me, 4-SO₂NH₂, etc.] was developed via Pd-catalyzed oxidative dehydrogenation of phenylpyrazolidines/substituted hydrazones in the presence of anthradione (AMS) as a cocatalyst. This method can be utilized to a wide range of substrates, operates under mild reaction conditions and could give high yields.

Tetrahedron Letters published new progress about 14580-22-4. 14580-22-4 belongs to pyrazoles-derivatives, auxiliary class Organic Pigment, name is 1-(2-Chlorophenyl)-3-methyl-5-pyrazolone, and the molecular formula is C38H74Cl2N2O4, Formula: C10H9ClN2O.

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

Heffron, Timothy P. published the artcileRational Design of Phosphoinositide 3-Kinase α Inhibitors That Exhibit Selectivity over the Phosphoinositide 3-Kinase β Isoform, COA of Formula: C3H5BN2O2, the publication is Journal of Medicinal Chemistry (2011), 54(22), 7815-7833, database is CAplus and MEDLINE.

Of the four class I phosphoinositide 3-kinase (PI3K) isoforms, PI3Kα has justly received the most attention for its potential in cancer therapy. Herein we report our successful approaches to achieve PI3Kα vs PI3Kβ selectivity for two chem. series. In the thienopyrimidine series of inhibitors, we propose that select ligands achieve selectivity derived from a hydrogen bonding interaction with Arg770 of PI3Kα that is not attained with the corresponding Lys777 of PI3Kβ. In the benzoxepin series of inhibitors, the selectivity observed can be rationalized by the difference in electrostatic potential between the two isoforms in a given region rather than any specific interaction.

Journal of Medicinal Chemistry published new progress about 724710-02-5. 724710-02-5 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Boronic acid and ester,Pyrazole,Boronic Acids,Boronic acid and ester, name is (1H-Pyrazol-5-yl)boronic acid, and the molecular formula is C3H5BN2O2, COA of Formula: C3H5BN2O2.

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

Johns, Brian A. published the artcile1,3,4-Oxadiazole substituted naphthyridines as HIV-1 integrase inhibitors. Part 2: SAR of the C5 position, Related Products of pyrazoles-derivatives, the publication is Bioorganic & Medicinal Chemistry Letters (2009), 19(6), 1807-1810, database is CAplus and MEDLINE.

The use of a 1,3,4-oxadiazole in combination with an 8-hydroxy-1,6-naphthyridine ring system has been shown to deliver potent enzyme and antiviral activity through inhibition of viral DNA integration. This report presents a detailed structure-activity investigation of the C5 position resulting in low nM potency for several analogs with an excellent therapeutic index.

Bioorganic & Medicinal Chemistry Letters published new progress about 724710-02-5. 724710-02-5 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Boronic acid and ester,Pyrazole,Boronic Acids,Boronic acid and ester, name is (1H-Pyrazol-5-yl)boronic acid, and the molecular formula is C3H5BN2O2, Related Products of pyrazoles-derivatives.

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

Reed, Carson W. published the artcileSurveying heterocycles as amide bioisosteres within a series of mGlu₇ NAMs: Discovery of VU6019278, HPLC of Formula: 763120-58-7, the publication is Bioorganic & Medicinal Chemistry Letters (2019), 29(10), 1211-1214, database is CAplus and MEDLINE.

This letter describes a diversity-oriented library approach to rapidly assess diverse heterocycles as bioisosteric replacements for a metabolically labile amide moiety within a series of mGlu₇ neg. allosteric modulators (NAMs). SAR rapidly honed in on either a 1,2,4- or 1,3,4-oxadizaole ring system as an effective bioisostere for the amide. Further optimization of the southern region of the mGlu₇ NAM chemotype led to the discovery of VU6019278, a potent mGlu₇ NAM (IC₅₀ = 501 nM, 6.3% L-AP₄ Min) with favorable plasma protein binding (rat f_u = 0.10), low predicted hepatic clearance (rat CL_hep = 27.7 mL/min/kg) and high CNS penetration (rat K_p = 4.9, K_p,uu = 0.65).

Bioorganic & Medicinal Chemistry Letters published new progress about 763120-58-7. 763120-58-7 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Boronic acid and ester,Boronic Acids,Boronic acid and ester, name is 1H-Pyrazole-4-boronic acid, and the molecular formula is C3H5BN2O2, HPLC of Formula: 763120-58-7.

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

Dong, W.-K. published the artcileSupramolecular chelate copper(II) complex with 4-[(ethoxyimino)(phenyl)methyl]-5-methyl-2-phenyl-1Hpyrazol-3(2H)-one: Synthesis, crystal structure, and properties, Recommanded Product: 4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, the publication is Russian Journal of General Chemistry (2013), 83(6), 1131-1135, database is CAplus.

A supramol. Cu(II) complex, [Cu(L)₂(H₂O)]·C₂H₅OH (1) {HL (2) = 4-[(ethoxyimino)(phenyl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3(2H)-one} was synthesized and characterized structurally. The structure of the Cu(II) complex consists of one Cu(II) atom, two bidentate L-units, one coordinated H₂O and one crystallization ethanol mol. The Cu(II) atom of the complex has a slightly distorted tetragonal pyramidal geometry. Moreover, every Cu(II) complex mol. links four other mols. into an infinite 2D-layer supramol. structure via intermol. O-H…O, O-H…N, and C-H…O hydrogen bonds.

Russian Journal of General Chemistry published new progress about 4551-69-3. 4551-69-3 belongs to pyrazoles-derivatives, auxiliary class Benzenes, name is 4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, and the molecular formula is C17H14N2O2, Recommanded Product: 4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one.

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

Wu, Nan published the artcileSyntheses of pyrazole derivatives, Product Details of C10H9ClN2O, the publication is Daxue Huaxue (2014), 29(3), 63-66, database is CAplus.

Through the synthesis experiments of pyrazole derivatives, the students were led to use chem. open experiment time, search literatures, determine exptl. contents, complete experiment process and verify experiment results. A new rapid and simple method to synthesize pyrazole derivatives was found, and the creative consciousness and comprehensive abilities of students were improved.

Daxue Huaxue published new progress about 14580-22-4. 14580-22-4 belongs to pyrazoles-derivatives, auxiliary class Organic Pigment, name is 1-(2-Chlorophenyl)-3-methyl-5-pyrazolone, and the molecular formula is C9H9ClO4, Product Details of C10H9ClN2O.

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