34025-58-6

Basic information

• Product Name: 2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-one
• Synonyms: 2,4-Diphenyl-3-azabicyclo[3.3.1]nonan-9-one; 2,4-Diphenyl-3-aza-bicyclo[3.3.1]nonan-9-one; 3-Azabicyclo[3.3.1]nonan-9-one, 2,4-diphenyl-
• CAS NO: 34025-58-6
• Molecular Formula: C₂₀H₂₁NO
• Molecular Weight: 291.3868
• Mol File: 34025-58-6.mol
• Article Data: 15

Chemical Properties

• Boiling Point: 458.5°C at 760 mmHg
• Flash Point: 161.3°C
• Density: 1.113g/cm³
• Vapor Pressure: 1.36E-08mmHg at 25°C
• Refractive Index: 1.582
• CAS DataBase Reference: 2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-one(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-one(34025-58-6)
• EPA Substance Registry System: 2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-one(34025-58-6)

Safety Data

• Hazardous Substances Data: 34025-58-6(Hazardous Substances Data)

Usage

General Description

2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-one is a chemical compound with a complex molecular structure. It is composed of two phenyl groups and a bicyclic nonan ring with an azabicyclo motif, containing a nitrogen atom. The compound is a ketone, indicated by the presence of the carbonyl group, and is commonly used in organic and medicinal chemistry research. Its unique structure and properties make it a valuable building block for creating new pharmaceuticals and biologically active molecules. Additionally, its distinct structure also makes it a topic of interest in the study of molecular conformation and stereochemistry.

Upstream product

• 108-94-1 cyclohexanone 
• 100-52-7 benzaldehyde 
• 92586-90-8 3-Nitroso-2,4-diphenyl-3-aza-bicyclo[3.3.1]nonan-9-one 

Downstream Products

• 92586-88-4 2,4-diphenyl-9-methylene-3-azabicyclo<3.3.1>nonane 
• 78255-62-6 rel-(1R,2S,4R,5S)-2,4-Diphenyl-3-azabicyclo<3.3.1>nonan 
• 1309865-05-1 C₂₇H₂₈N₄S 
• 13456-63-8 1-benzylidene-4-phenylthiosemicarbazide 
• 1148058-58-5 C₂₁H₂₄N₄S 
• 64259-30-9 3-methyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-one 
• 1240952-63-9 2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-one O-methyloxime 
• 65850-73-9 2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-one oxime 
• 1627-73-2 1-benzylidene thiosemicarbazide 
• 76284-08-7 Ethyl 2,4-diphenyl-3-azabicyclo<3.3.1>nonan-9-hydroxy-9-acetate 

Relevant articles and documents

Synthesis, crystal structure, DFT and molecular docking studies of N-acetyl-2,4-[diaryl-3-azabicyclo[3.3.1]nonan-9-yl]-9-spiro-4′-acetyl-2′-(acetylamino)-4′,9-dihydro-[1′,3′,4′]-thiadiazoles: A potential SARS-nCoV-2 Mpro (COVID-19) inhibitor

In this paper, we describe the synthesis and crystal structure analysis of N-acetyl-2,4-[diphenyl-3-azabicyclo[3.3.1]nonan-9-yl]-9-spiro-4′-acetyl-2′-(acetylamino)-4′,9-dihydro-[1′,3′,4′]-thiadiazole (3a) and N-acetyl- 2,4-[bis(p-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-yl]-9-spiro-4′-acetyl-2′-(acetylamino)-4′,9-dihydro-[1′,3′,4′]-thiadiazole (3b). The title compounds 3a and 3b are characterized by 1D NMR and single crystal x-ray diffraction analysis. Non-covalent interactions in a molecule were identified by Hirshfeld surface (dnorm contacts and 2D fingerprint plot) analysis. In addition, the existence of chalcogen bond (S???O bond) in the molecular structures (3a and 3b) are described by NCI-RDG and QTAIM analysis. NBO analysis is employed to describe the orbital interactions and electron transfer between sulfur and oxygen atoms. Molecular docking is carried out for compounds 3a and 3b with COVID-19 viral protein SARS-nCoV-2 Mpro (PDB ID: 6LU7).

Synthesis, stereochemical, structural, and biological studies of a series of N′-(2r,4c-diaryl-3-azabicyclo[3.3.1]nonan-9-ylidene)pyrazine-2-carbohydrazides

A new series of N′-(2r,4c-diaryl-3-azabicyclo[3.3.1]nonan-9-ylidene)pyrazine-2-carbohydrazides (8–14) were synthesized by the corresponding 2r,4c-diaryl-3-azabicyclo[3.3.1]nonan-9-ones (1–7) reaction with pyrazine-2-carbohydrazide. The stereochemistry of

Antimicrobial evaluation of a set of heterobicyclic methylthiadiazole hydrazones: Synthesis, characterization, and SAR studies

To exploit the potential antimicrobial activities of azabicyclic skeleton based compounds, a set of 2r,4c-diaryl-3-azabicyclo[3.3.1]nonan-9-one-4-methyl- 1,2,3-thiadazole-5-carbonyl hydrazones were synthesized. Unambiguous structural elucidation has been