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

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

Uses

Used in Medicinal Chemistry:
1-Benzyl-3,3-difluoropiperidin-4-one is used as a building block for the synthesis of pharmaceuticals due to its unique structure and potential biological activity. Its incorporation into various drug molecules can enhance their therapeutic properties and efficacy.
Used in Drug Development:
1-Benzyl-3,3-difluoropiperidin-4-one serves as a starting material for the development of new compounds with therapeutic properties. Its unique structure allows for further modification and optimization to create novel drugs with improved pharmacological profiles.
Used in Pharmaceutical Industry:
1-Benzyl-3,3-difluoropiperidin-4-one is used as a key intermediate in the synthesis of various pharmaceuticals for the treatment of different diseases. Its unique structure and potential biological activity make it a valuable asset in the development of innovative therapeutic agents.
Used in Research and Development:
1-Benzyl-3,3-difluoropiperidin-4-one is utilized in research and development for the exploration of its potential applications and properties. Further studies and research are required to fully understand its therapeutic potential and optimize its use in drug development.

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.

CONDENSED PYRIDINE COMPOUND

The present invention provides a compound having excellent JAK3 inhibitory activity and being useful as an active ingredient of an agent for treating and/or preventing various immune diseases including autoimmune diseases, inflammatory diseases, and allergic diseases. As a result of investigations with respect to novel condensed heterocyclic derivatives, the inventors have verified that a condensed pyridine compound has excellent JAK3 inhibitory activity, thereby completing the present invention. More specifically, it has been verified that since the compound according to the present invention has inhibitory activity against JAK3, the compound is useful as an active ingredient of an agent for treating or preventing diseases caused by undesirable cytokine signal transduction (e.g., rejection during live organ/tissue transplantation, autoimmune diseases, asthma, atopic dermatitis, rheumatism, psoriasis and atherosclerotic disease), or diseases caused by abnormal cytokine signal transduction (e.g., cancer and leukemia).