3881-38-7

Basic information

• Product Name: 1-(4-PYRIDINYL)PYRIDIN-4(1H)-ONE
• Synonyms: 1-(4-PYRIDINYL)PYRIDIN-4(1H)-ONE
• CAS NO: 3881-38-7
• Molecular Formula: C₁₀H₈N₂O
• Molecular Weight: 172.18
• Mol File: 3881-38-7.mol
• Article Data: 5

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 1-(4-PYRIDINYL)PYRIDIN-4(1H)-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(4-PYRIDINYL)PYRIDIN-4(1H)-ONE(3881-38-7)
• EPA Substance Registry System: 1-(4-PYRIDINYL)PYRIDIN-4(1H)-ONE(3881-38-7)

Safety Data

• Hazardous Substances Data: 3881-38-7(Hazardous Substances Data)

Usage

General Description

1-(4-Pyridinyl)pyridin-4(1H)-one is a chemical compound with the molecular formula C10H7N3O. It is a heterocyclic compound containing two linked pyridine rings. This chemical is commonly used as a building block in organic synthesis and has potential applications in pharmaceuticals, agrochemicals, and materials science. It has been studied for its potential as an antiviral, antifungal, and anticancer agent. Its unique structure and properties make it a valuable tool in the development of new compounds for various industries.

Upstream product

• 626-64-2 pyridin-4-ol 
• 108-24-7 acetic anhydride 
• 694-52-0 4-fluoropyridine 
• 30074-98-7 1-Acetyl-4(1H)-pyridinon 
• 1122-61-8 4-nitropyridine 
• 22918-00-9 2-hydroxypyridine silver salt 
• 7719-09-7 thionyl chloride 
• 15854-87-2 4-iodopyridine 
• 7732-18-5 water 
• 10025-87-3 trichlorophosphate 
• 504-24-5 4-aminopyridine 
• 7664-39-3 hydrogen fluoride 
• 5402-20-0 pyridine-4-sulfonic acid 
• 10026-13-8 phosphorus pentachloride 

Downstream Products

• 108-96-3 4-pyridone 
• 1620-30-0 diphenyl(pyridin-4-yl)methanol 
• 464-72-2 tetraphenylethane-1,2-diol 
• 96254-12-5 1-(4'-pyridyl)-4-hydroxypyridinium ditosylate 
• 22961-45-1 N-phenylpyridin-4-amine 

Relevant articles and documents

Revisiting the Role of Hydrogen Bonding in the Strong Dimer Superexchange of a 2D Copper(II) Halide Honeycomb-Like Lattice: Structural and Magnetic Study

The title compound H2L(CuCl3H2O)Cl (H2L = 1-(4′-pyridinium)pyridin-4-ol-ium), 1) was synthesized and investigated structurally and magnetically as well as via a first-principles, bottom-up theoretical analysis of the potential magnetic superexchange pathways. Compound 1 can be described structurally as a well-isolated, distorted 2D-honeycomb lattice with two potential exchange pathways: a dimeric interaction via hydrogen-bonded pairs of (CuCl3H2O) ions and a chain structure via bridging chloride ions. Surprisingly, the experimental magnetic data are best fitted using both a simple dimer model with a Curie-Weiss correction for interdimer exchange (Jdimer = -107.4(1) K, θ = -1.22(4) K) and a strong-rung ladder model (Jrung = -105.8(7) K, Jrail = 2(7) K). Theoretical analysis at the UB3LYP/6-31+G(d) level supports the strong exchange observed through the [CuCl4(H2O)]2- dimer moiety superexchange pathway (-102 K = -71 cm-1). However, the apparent vanishingly small exchange through the single halide bridge is merely a brute average of competing ferromagnetic (FM) (+24.8 K = +17.0 cm-1) and antiferromagnetic (AFM) (-21.0 K = -14.6 cm-1) exchange interactions. Our computational study shows that these fitting parameters carry no physical meaning since a honeycomb plaquette must be taken as magnetic building block for 1. The competition between FM and AFM pair interactions leads to geometrical frustration in 1 and could induce interesting magnetic response at low temperatures, if the magnetic exchange is adequately tuned by modifying substituents in ligands and, in turn, interactions within the crystal packing.

The Photo-initiated Substitution Reaction of 4-Chloropyridine and the Related 1-(4'-Pyridyl)-4-pyridone with Benzophenone in Aqueous 2-Propanol

4-Chloropyridine (1) converts to 1-(4'-pyridyl)-4-pyridone (4) in aqueous 2-propanol.The photo-initiated reaction of both of these compounds in acidic and non-acidic 4:1 2-propanol/water with and without benzophenone is reported.

Transacylations with Acyl Derivatives of 4-Pyridones

Aliphatic and aromatic amines as well as thiols react with N-acyl-4-pyridones (2a, b) and with 4-(benzoyloxy)pyridine (3a) in methylene chloride or chloroform to give the N-substituted amides 4-6 and the thiol esters 7 and 8, respectively, with very good yields.Primary and secondary alcohols react more slowly, tert-butyl alcohol only with 3a to the tert-butyl esters 12 under basic catalysis or with the much more reactive N-(trihaloacetyl)-4-pyridones 3b, c.N-Acetyl-4-pyridone (2a) possesses a much higher acylation potential than N-acetylimidazole (13a).