1039741-54-2

Basic information

• Product Name: 1-Benzyl-3,3-difluoropiperidin-4-one
• Synonyms: 1-Benzyl-3,3-difluoro-4-oxopiperidine;1-benzyl-3,3-difluoropiperidin-4-one hydrochloride
• CAS NO: 1039741-54-2
• Molecular Formula: C₁₂H₁₃F₂NO
• Molecular Weight: 225.2345264
• Mol File: 1039741-54-2.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 291.0±40.0 °C(Predicted)
• Appearance: /
• Density: 1.22±0.1 g/cm3(Predicted)
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: 3.01±0.40(Predicted)
• CAS DataBase Reference: 1-Benzyl-3,3-difluoropiperidin-4-one(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Benzyl-3,3-difluoropiperidin-4-one(1039741-54-2)
• EPA Substance Registry System: 1-Benzyl-3,3-difluoropiperidin-4-one(1039741-54-2)

Safety Data

• Hazardous Substances Data: 1039741-54-2(Hazardous Substances Data)

Usage

General Description

1-Benzyl-3,3-difluoropiperidin-4-one is a chemical compound with the molecular formula C15H16F2NO. It is a piperidinone derivative that contains a benzyl group and two fluorine atoms attached to the piperidin-4-one ring. 1-Benzyl-3,3-difluoropiperidin-4-one has potential applications in medicinal chemistry and drug development due to its unique structure and biological activity. It may be used as a building block for the synthesis of pharmaceuticals or as a starting material for the development of new compounds with therapeutic properties. The specific properties and potential uses of 1-Benzyl-3,3-difluoropiperidin-4-one would depend on further research and study.

Upstream product

• 851314-56-2 ethyl 5,5-difluoro-4-hydroxy-1-(phenylmethyl)-1,2,5,6-tetrahydro-3-pyridinecarboxylate 
• 1215071-17-2 tert-butyl 3,3-difluoro-4-oxo-piperidine-1-carboxylate 
• 100-39-0 benzyl bromide 

Downstream Products

• 1215071-17-2 tert-butyl 3,3-difluoro-4-oxo-piperidine-1-carboxylate 

Relevant articles and documents

Second basic pKa: An overlooked parameter in predicting phospholipidosis-inducing potential of diamines

In this paper, we present the phospholipidosis-inducing potential (PLIP) of forty fragment-sized diamines derived from N-benzyl-4-(methylamino)piperidine and discuss the relationship between their PLIP and the physicochemical properties. Our results demonstrate that the previously reported methods are not suitable for predicting the PLIP of fragment-sized diamines; the second basic pKa can distinguish PLIP-positive diamines from PLIP-negative diamines more accurately than ClogP or most basic pKa. To the best of our knowledge, this is the first report describing the relationship between PLIP and second basic pKa.