1017238-98-0

Basic information

• Product Name: 13-(2-CHLORO-PHENYL)-3,3-DIMETHYL-2,3,4,13-TETRAHYDRO-INDAZOLO[1,2-B]PHTHALAZINE-1,6,11-TRIONE
• Synonyms: 13-(2-CHLORO-PHENYL)-3,3-DIMETHYL-2,3,4,13-TETRAHYDRO-INDAZOLO[1,2-B]PHTHALAZINE-1,6,11-TRIONE;13-(2-Chlorophenyl)-3,3-dimethyl-2,3,4,13-tetrahydroindazolo[1,2-b]phthalazine-1,6,11-tri
• CAS NO: 1017238-98-0
• Molecular Formula: C₂₃H₁₉ClN₂O₃
• Molecular Weight: 407
• Mol File: 1017238-98-0.mol
• Article Data: 57

Chemical Properties

• Melting Point: 264-266 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
• Boiling Point: 559.7±60.0 °C(Predicted)
• Appearance: /
• Density: 1.44±0.1 g/cm3(Predicted)
• PKA: -3.77±0.60(Predicted)
• CAS DataBase Reference: 13-(2-CHLORO-PHENYL)-3,3-DIMETHYL-2,3,4,13-TETRAHYDRO-INDAZOLO[1,2-B]PHTHALAZINE-1,6,11-TRIONE(CAS DataBase Reference)
• NIST Chemistry Reference: 13-(2-CHLORO-PHENYL)-3,3-DIMETHYL-2,3,4,13-TETRAHYDRO-INDAZOLO[1,2-B]PHTHALAZINE-1,6,11-TRIONE(1017238-98-0)
• EPA Substance Registry System: 13-(2-CHLORO-PHENYL)-3,3-DIMETHYL-2,3,4,13-TETRAHYDRO-INDAZOLO[1,2-B]PHTHALAZINE-1,6,11-TRIONE(1017238-98-0)

Safety Data

• Hazardous Substances Data: 1017238-98-0(Hazardous Substances Data)

Usage

General Description

13-(2-chloro-phenyl)-3,3-dimethyl-2,3,4,13-tetrahydro-indazolo[1,2-b]phthalazine-1,6,11-trione is a chemical compound with the molecular formula C21H16ClN3O3. It is a phthalazinetrione derivative with a tetrahydro-indazolo structure, containing a chloro-phenyl group. 13-(2-CHLORO-PHENYL)-3,3-DIMETHYL-2,3,4,13-TETRAHYDRO-INDAZOLO[1,2-B]PHTHALAZINE-1,6,11-TRIONE may have potential pharmacological properties due to its unique structural features, and it could be of interest for further research in the fields of medicinal chemistry and drug development. Additionally, its chemical and physical properties make it a candidate for various applications in the fields of organic synthesis and material science.

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Relevant articles and documents

Solvent-free, sonochemical, one-pot, four-component synthesis of 2H-indazolo[2,1-b]phthalazine-triones and 1H-pyrazolo[1,2-b]phthalazine-diones catalyzed by Fe3O4@SiO2-imid-PMAn magnetic nanoparticles

A practical and green method for the synthesis of 2H-indazolo[2,1-b]phthalazine-triones and 1H-pyrazolo[1,2-b]phthalazine-diones using Fe3O4@SiO2-imid-PMAn nanoparticles as an eco-friendly magnetic catalyst from the four-component condensation, solvent-free reaction of phthalic anhydride, hydrazinium hydroxide, 1,3-diketones, and aldehydes under thermal or ultrasound irradiation at room temperature is described. This new procedure has notable advantages such as operational simplicity, excellent yields, short reaction time, and absence of any tedious work-up or purification. In addition, thermal stability, easy preparation and separation of the catalyst make it a good heterogeneous system and a useful alternative to other heterogeneous catalysts. Also, the catalyst can be easily recovered by a magnetic field and reused for eight consecutive reaction cycles without significant loss of activity.

One-pot synthesis of 2H-indazolo[2,1-b]phthalazine-triones via nano γ-Al2O3/BF3/Fe3O4 as an efficient catalyst and theoretical DFT study on them

Experimental and computational studies were carried out for the synthesis of 2H-indazolo[2,1-b]phthalazine-triones using γ-Al2O3/BF3/Fe3O4 as a nanocatalyst in optimized and solvent-free conditions. The most significant features of the existing protocol are easy preparation of the catalyst, short reaction times, environmentally benign, and milder reaction conditions. The analysis data were reported using the experimental results of this investigation, such as: H-NMR, FT-IR (Fourier-transform infrared spectroscopy), X-ray diffraction, vibrating-sample magnetometer, Thermal gravimetric analysis (TG-DTG), nitrogen adsorption isotherm, Field Emission Scanning Electron Microscopy, and Transmission electron microscopy images of nanocatalyst. In this study, 2H-indazolo[2,1-b]phthalazine-triones have also been theoretically investigated using DFT-B3LYP/6-31G method. Also, some of the physical chemistry properties have examined for conformers of products, which there was good agreement between the computational results and obtained experimental for the products.

Application of O-sulfonic acid poly(4-vinylpyrrolidonium) chloride as an efficient polymer-supported catalyst in the rapid synthesis of 2H-indazolo[2,1-b]phthalazine-triones and Biginelli-like products

In this work, a series of 2H-indazolo[2,1-b]phthalazine-triones and Biginelli-like products were efficiently synthesized for the first time using O-Sulfonic acid poly(4-vinylpyrrolidonium) chloride ([PVP-SO3H]Cl) as an eco-friendly polymer-supp