1698-54-0

Basic information

• Product Name: 3-HYDROXY-1-PHENYL-6-PYRIDAZONE
• Synonyms: 3-HYDROXY-1-PHENYL-6-PYRIDAZONE;6-HYDROXY-2-PHENYL-3(2H)-PYRIDAZINONE;BUTTPARK 41\07-18;2-Phenyl-6-hydroxy-3-Pyridazone;6-Hydroxy-2-Phenyl-3(2H)-Pyridaxinone;1,2-dihydro-1-phenylpyridazine-3,6-dione;6-Hydroxy-2-Phenyl-3-(2H)-Pyridozinenone;PhenylMaleicHydrazide
• CAS NO: 1698-54-0
• Molecular Formula: C₁₀H₈N₂O₂
• Molecular Weight: 188.18
• EINECS: 216-918-1
• Mol File: 1698-54-0.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 358.9 °C at 760 mmHg
• Flash Point: 170.9 °C
• Appearance: /
• Density: 1.306g/cm³
• Vapor Pressure: 8.92E-06mmHg at 25°C
• Refractive Index: 1.606
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 3-HYDROXY-1-PHENYL-6-PYRIDAZONE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-HYDROXY-1-PHENYL-6-PYRIDAZONE(1698-54-0)
• EPA Substance Registry System: 3-HYDROXY-1-PHENYL-6-PYRIDAZONE(1698-54-0)

Safety Data

• Hazardous Substances Data: 1698-54-0(Hazardous Substances Data)

Usage

General Description

3-Hydroxy-1-phenyl-6-pyridazone is a chemical compound with the molecular formula C11H8N2O2. It is a pyridazone derivative that has been used in the synthesis of pharmaceuticals and agrochemicals. 3-HYDROXY-1-PHENYL-6-PYRIDAZONE has been investigated for its potential anti-inflammatory and antitumor properties. It has also been studied for its ability to inhibit the enzyme xanthine oxidase, which could make it useful in the treatment of gout and hyperuricemia. Additionally, 3-hydroxy-1-phenyl-6-pyridazone has been explored for its potential applications in the fields of colorimetric detection and analytical chemistry.

InChI:InChI=1/C10H8N2O2/c13-9-6-7-10(14)12(11-9)8-4-2-1-3-5-8/h1-7H,(H,11,13)

Upstream product

• 108-31-6 maleic anhydride 
• 100-63-0 phenylhydrazine 
• 59-88-1 phenylhydrazine hydrochloride 
• 64-19-7 acetic acid 
• 110-16-7 maleic acid 

Downstream Products

• 91392-60-8 6-ethoxy-2-phenyl-2H-pyridazin-3-one 
• 13817-74-8 2-methyl-1-phenyl-1,2-dihydro-3,6-pyridazinedione 
• 61230-81-7 thiophosphoric acid O,O'-dimethyl ester O''-(6-oxo-1-phenyl-1,6-dihydro-pyridazin-3-yl) ester 
• 63135-29-5 phosphoric acid diethyl ester-(6-oxo-1-phenyl-1,6-dihydro-pyridazin-3-yl ester) 
• 14634-50-5 6-methoxy-2-phenyl-2H-pyridazin-3-one 
• 2568-51-6 3,5-dichloro-1-phenyl-6-pyridazinone 
• 1698-57-3 6-chloro-2-phenylpyridazine-3(2H)-one 
• 90766-98-6 6-bromo-2-phenyl-2H-pyridazin-3-one 
• 92576-18-6 1-ethyl-2-phenyl-1,2-dihydro-pyridazine-3,6-dione 
• 22202-90-0 1-<4-Nitro-phenyl-3.6-dioxo-1.2.3.6-tetrahydro-pyridazin 

Relevant articles and documents

On the spectroscopic analyses of 3-Hydroxy-1-Phenyl-Pyridazin-6(2H)one (HPHP): A comparative experimental and computational study

We have systematically calculated various physical characteristics such as optimized molecular structural parameters, vibrational frequencies, HOMO-LUMO energy gap, total dipole moment and thermochemical parameters: nuclear repulsion energy, ionization energy, electron affinity, global hardness, electronic chemical potential, global electrophilicity index and finally softness (ζ) using DFT/B3LYP utilizing 6-311G(d,p) basis set for 3-Hydroxy-1-Phenyl-Pyridazin-6(2H)one (HPHP). Also, HPHP nonlinear optical (NLO) properties have been checked by DFT/B3LYP utilizing 6-311G(d,p) basis set. In addition, we have investigated the influence of exposure to UV radiation on HPHP physical properties at the same level of theory. Our results show that HPHP possesses a dipole moment (2.68?Debye) and HOMO-LUMO energy gap of 3.99?eV that emphasize its high applicability for manufacturing photovoltaic devices such as solar cells. After exposure to UV radiation, the HPHP dipole moment has been lowered from 2.68 to 2.3?Debye due to UV radiation. Moreover, a double spin in HPHP has been observed, as electrons are aligned according to their spin state. Electrons (spin ↑) and (spin ↓) are aligned in alpha and beta levels with energy gaps 3.82 and 3.17?eV, respectively. This anomalous behavior may be justified by considering that HPHP undergoes anomalous Zeeman-like effect. The presence of this phenomenon in HPHP introduces it as a modern organic semiconductor which has high applicability to be used in modern spintronics.

Ru(II)-Catalyzed C-H Hydroxyalkylation and Mitsunobu Cyclization of N-Aryl Phthalazinones

Ruthenium(II)-catalyzed C(sp2)-H functionalization of N-Aryl phthalazinones with a range of aldehydes and activated ketone is described. Initial formation of hydroxyalkylated phthalazinones and subsequent Mitsunobu cyclization provided facile access to biologically relevant indazolophthalazinones. The utility of this method is highlighted by synthetic transformations into a series of potentially bioactive scaffolds.

Synthesis of phenylpyridazinone derivative and application thereof

The invention relates to the field of medicine, and concretely the invention relates to a phenylpyridazine derivative and an application thereof. Concretely, the invention relates to a phenylpyridazinone derivative, a pharmaceutical composition containing the phenylpyridazinone derivative, and applications of the composition and the phenylpyridazinone derivative to preparation of medicines for preventing or treating nervous and mental diseases. The phenylpyridazinone derivative has a structure as shown in a formula (I). Experiments show that the compound can be used for preventing or treatingnervous and mental diseases.