131899-25-7

Basic information

• Product Name: 1-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(pentafluoroethyl)-3,4-dihydro-2H-chromen-4-yl]piperidin-2-one
• CAS NO: 131899-25-7
• Molecular Formula: C₁₈H₂₀F₅NO₃
• Molecular Weight: 393.3483
• Mol File: 131899-25-7.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 432.4°C at 760 mmHg
• Flash Point: 215.3°C
• Density: 1.35g/cm³
• Vapor Pressure: 3.03E-08mmHg at 25°C
• Refractive Index: 1.499
• CAS DataBase Reference: 1-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(pentafluoroethyl)-3,4-dihydro-2H-chromen-4-yl]piperidin-2-one(CAS DataBase Reference)
• NIST Chemistry Reference: 1-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(pentafluoroethyl)-3,4-dihydro-2H-chromen-4-yl]piperidin-2-one(131899-25-7)
• EPA Substance Registry System: 1-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(pentafluoroethyl)-3,4-dihydro-2H-chromen-4-yl]piperidin-2-one(131899-25-7)

Safety Data

• Hazardous Substances Data: 131899-25-7(Hazardous Substances Data)

Upstream product

• 675-20-7 piperidin-2-one 
• 129180-59-2 2,2-Dimethyl-6-iodo-2H-1-benzopyran 
• 131815-85-5 2,2-dimethyl-6-pentafluoroethyl-2H-1-benzopyran 

Relevant articles and documents

The effect of catalyst loading and donor ligands in the Mn(III) salen catalysed chiral epoxidation of chromenes: Synthesis of BRL 55834

In the absence of a donor ligand both the reaction rate and product e.e. of the manganese (III) salen catalysed epoxidation of 2,2-dimethyl-6- pentafluoroethylchromene were dependent on the catalyst loading. Isoquinoline N-oxide was the most effective donor ligand, affording highly efficient epoxidations with catalyst loadings of 0.1-0.4 mol%. These findings allowed the realisation of a concise, inexpensive synthesis of BRL 55834.