2654-58-2

Basic information

• Product Name: 4,4-Dimethyl-1-phenyl-3-pyrazolidone
• Synonyms: 4,4-dimethyl-1-phenyl-3-pyrazolidinon;4,4-dimethylphenidone;nsc215239;4,4-DIMETHYL-1-PHENYL-3-PYRAZOLIDINONE;4,4'-DIMETHYL-1-PHENYL-3-PYRAZOLIDONE;4,4-DIMETHYL-1-PHENYL-3-PYRAZOLIDONE;DIMEZONE;DIMEZORE
• CAS NO: 2654-58-2
• Molecular Formula: C₁₁H₁₄N₂O
• Molecular Weight: 190.24
• EINECS: 220-181-1
• Product Categories: Heterocyclic Compounds;Building Blocks;Heterocyclic Building Blocks;Pyrazoles
• Mol File: 2654-58-2.mol
• Article Data: 1

Chemical Properties

• Melting Point: 167-172 °C(lit.)
• Boiling Point: 325.75°C (rough estimate)
• Flash Point: 195 °C
• Appearance: white to light orange or pink crystalline powder
• Density: 1.0815 (rough estimate)
• Refractive Index: 1.5700 (estimate)
• PKA: 9.58±0.70(Predicted)
• Water Solubility: soluble
• BRN: 144478
• CAS DataBase Reference: 4,4-Dimethyl-1-phenyl-3-pyrazolidone(CAS DataBase Reference)
• NIST Chemistry Reference: 4,4-Dimethyl-1-phenyl-3-pyrazolidone(2654-58-2)
• EPA Substance Registry System: 4,4-Dimethyl-1-phenyl-3-pyrazolidone(2654-58-2)

Safety Data

• Hazard Codes: T
• Statements: 25-36/37/38-43-23/24/25
• Safety Statements: 26-36/37-45-37/39-28A-24-36/37/39
• RIDADR: UN 2811 6.1/PG 2
• WGK Germany: 2
• RTECS: UQ8710000
• HazardClass: 6.1
• PackingGroup: II
• Hazardous Substances Data: 2654-58-2(Hazardous Substances Data)

Usage

Chemical Properties

white to light orange or pink crystalline powder

InChI:InChI=1/C11H14N2O/c1-11(2)8-13(12-10(11)14)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,12,14)

Upstream product

• 4300-97-4 3-Chloropivaloyl chloride 
• 59-88-1 phenylhydrazine hydrochloride 
• 100-63-0 phenylhydrazine 
• 41682-84-2 3-hydroxy-2,2-dimethyl-propionic acid-(N'-phenyl-hydrazide) 

Relevant articles and documents

Synthesis of Pyrazolo[1,2-a]cinnolines via Rhodium(III)-Catalyzed [4+2] Annulation Reactions of Pyrazolidinones with Sulfoxonium Ylides

A method to synthesize pyrazolo[1,2-a]cinnolines via rhodium(III)-catalyzed C?H activation of pyrazolidinones and subsequent [4+2] annulation of sulfoxonium ylides was developed. 5-Substituted or 5,10-disubstituted pyrazolo[1,2-a]cinnolines could be obtained by slightly adjusting the reaction conditions. Gram-scale synthesis and practical transformations proved the practicability of this method. The mechanism of this method was proposed in the article on the basis of preliminary mechanistic results and previous reports. This method features simplified operation, metal-oxidant free, and readily available reactants. (Figure presented.).