321-05-1

Basic information

• Product Name: 5-METHYL-2-(3-TRIFLUOROMETHYL-PHENYL)-2,4-DIHYDRO-PYRAZOL-3-ONE
• Synonyms: 5-methyl-2-[3-(trifluoromethyl)phenyl]-4H-pyrazol-3-one;3-methyl-1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-5(4H)-one
• CAS NO: 321-05-1
• Molecular Formula: C₁₁H₉F₃N₂O
• Molecular Weight: 242.2
• Mol File: 321-05-1.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 346.4°Cat760mmHg
• Flash Point: 163.3°C
• Appearance: /
• Density: 1.35g/cm³
• Vapor Pressure: 5.76E-05mmHg at 25°C
• Refractive Index: 1.538
• CAS DataBase Reference: 5-METHYL-2-(3-TRIFLUOROMETHYL-PHENYL)-2,4-DIHYDRO-PYRAZOL-3-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-METHYL-2-(3-TRIFLUOROMETHYL-PHENYL)-2,4-DIHYDRO-PYRAZOL-3-ONE(321-05-1)
• EPA Substance Registry System: 5-METHYL-2-(3-TRIFLUOROMETHYL-PHENYL)-2,4-DIHYDRO-PYRAZOL-3-ONE(321-05-1)

Safety Data

• Hazardous Substances Data: 321-05-1(Hazardous Substances Data)

Usage

InChI:InChI=1/C11H9F3N2O/c1-7-5-10(17)16(15-7)9-4-2-3-8(6-9)11(12,13)14/h2-4,6H,5H2,1H3

Upstream product

• 141-97-9 ethyl acetoacetate 
• 368-78-5 3-(trifluoromethyl)phenylhydrazine 
• 3107-33-3 3-(trifluoromethyl)phenylhydrazine hydrochloride 

Downstream Products

• 1510821-80-3 2-(2-(cyclohexylamino)-5-(trifluoromethyl)phenyl)-5-methyl-1H-pyrazol-3(2H)-one 

Relevant articles and documents

Regioselectivity Switch in Palladium-Catalyzed Allenylic Cycloadditions of Allenic Esters: [4+1] or [4+3] Cycloaddition/Cross-Coupling

The first Pd-catalyzed asymmetric allenylic [4+1] cycloaddition was successfully developed. Alternatively, tuning the Pd catalyst switched the reactivity toward an unprecedented [4+3] cycloaddition/cross-coupling. Ligands play a vital role in controlling the reaction pathway, allowing highly selective access to different products from identical substrates. Biological evaluation of the obtained compounds led to the discovery of new antitumor targets. A possible mechanism is proposed, suggesting two interesting catalytic cycles for the cycloaddition with palladium-butadienyls. This study also demonstrated the potential and utility of allenic esters as 1,4-biselectrophiles and C4 synthons for participating in cycloaddition reactions.

DRUGS COMPRISING COMBINATION OF ANTITHROMBOTIC AGENT WITH PYRAZOLONE DERIVATIVE

It is intended to provide drugs for treating and/or preventing ischemic diseases which are safe and have little side effects. Namely, drugs comprising a combination of an antithrombotic agent and a pyrazolone derivative defined in the description or its pharmaceutically acceptable salt.

Hydrazinonaphthalene and azonaphthalene thrombopoietin mimics are nonpeptidyl promoters of megakaryocytopoiesis

High-throughput screening for the induction of a luciferase reporter gene in a thrombopoietin (TPO)-responsive cell line resulted in the identification of 4-diazo-3-hydroxy-1-naphthalene-sulfonic acids as TPO mimics. Modification of the core structure and adjustment of unwanted functionality resulted in the development of (5-oxo-1,5-dihydropyrazol-4-ylidene)hydrazines which exhibited efficacies equivalent to those of TPO in several cell-based assays designed to measure thrombopoietic activity. Furthermore, these compounds elicited biochemical responses in TPO-receptor-expressing cells similar to those in TPO itself, including kinase activation and protein phosphorylation. Potencies for the best compounds were high for such low molecular weight compounds (MW 50 values in the region of 1-20 nM.