2045-74-1

Basic information

• Product Name: 3,3-dimethyl-2-phenyl-4,5-dihydropyrrole
• CAS NO: 2045-74-1
• Molecular Formula: C₁₂H₁₅N
• Molecular Weight: 173.2542
• Mol File: 2045-74-1.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 236.5°C at 760 mmHg
• Flash Point: 88.4°C
• Density: 0.97g/cm³
• Vapor Pressure: 0.0726mmHg at 25°C
• Refractive Index: 1.545
• CAS DataBase Reference: 3,3-dimethyl-2-phenyl-4,5-dihydropyrrole(CAS DataBase Reference)
• NIST Chemistry Reference: 3,3-dimethyl-2-phenyl-4,5-dihydropyrrole(2045-74-1)
• EPA Substance Registry System: 3,3-dimethyl-2-phenyl-4,5-dihydropyrrole(2045-74-1)

Safety Data

• Hazardous Substances Data: 2045-74-1(Hazardous Substances Data)

Upstream product

• 72846-70-9 (E)-N-(2-methyl-1-phenylpropylidene)oxime 
• 74-86-2 acetylene 
• 72846-70-9 isopropyl phenyl ketoxime 
• 4412-32-2 4,4-dimethyl-5-oxo-5-phenyl-valeric acid amide 
• 4412-28-6 4,4-dimethyl-5-oxo-5-phenylpentanenitrile 

Relevant articles and documents

Synthesis of 3,3-dimethyl-2-phenyl-3H-pyrrole from Isopropyl Phenyl Ketoxime and Acetylene: A Side Formation of 4,4-dimethyl-5-phenyl-1-vinyl-2- pyrrolidinone as Clue to the Reaction Mechanism

Isopropyl phenyl ketoxime reacts with acetylene in the KOH/DMSO suspension (atmospheric pressure, 90 °C, 4 h) to afford 3,3-dimethyl-2-phenyl-3H- pyrrole (30%) and 4,4-dimethyl-5-phenyl-1-vinyl-2-pyrrolidinone (5%) that is likely originated from 4,4-dimethyl-5-phenyl-3,4-dihydro-2H-pyrrol-2-ol as the key reaction intermediate.