5400-95-3

Basic information

• Product Name: 1-(4-Nitrophenyl)-3-phenyl-1,3-propanedione
• Synonyms: 1-(4-Nitrophenyl)-3-phenyl-1,3-propanedione
• CAS NO: 5400-95-3
• Molecular Formula: C₁₅H₁₁NO₄
• Molecular Weight: 269.25214
• Mol File: 5400-95-3.mol
• Article Data: 10

Chemical Properties

• Boiling Point: 465.1°Cat760mmHg
• Flash Point: 228.5°C
• Appearance: /
• Density: 1.289g/cm³
• Vapor Pressure: 7.91E-09mmHg at 25°C
• Refractive Index: 1.61
• CAS DataBase Reference: 1-(4-Nitrophenyl)-3-phenyl-1,3-propanedione(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(4-Nitrophenyl)-3-phenyl-1,3-propanedione(5400-95-3)
• EPA Substance Registry System: 1-(4-Nitrophenyl)-3-phenyl-1,3-propanedione(5400-95-3)

Safety Data

• Hazardous Substances Data: 5400-95-3(Hazardous Substances Data)

Usage

Description

1-(4-Nitrophenyl)-3-phenyl-1,3-propanedione, a chemical compound with the molecular formula C15H11NO4, is a yellow crystalline powder. It is known for its diverse chemical properties, which include a nitrophenyl group and a phenyl group attached to a 1,3-propanedione backbone. 1-(4-Nitrophenyl)-3-phenyl-1,3-propanedione is often utilized as a building block in organic synthesis and pharmaceutical research, making it a promising candidate for the development of new drugs and organic materials.

Uses

Used in Organic Synthesis:
1-(4-Nitrophenyl)-3-phenyl-1,3-propanedione is used as a building block for [organic synthesis] due to [its diverse chemical properties and structural composition].
Used in Pharmaceutical Research:
In the pharmaceutical industry, 1-(4-Nitrophenyl)-3-phenyl-1,3-propanedione is used as a key component in [drug development] because of [its potential to contribute to the creation of new drugs].
It is crucial to handle 1-(4-Nitrophenyl)-3-phenyl-1,3-propanedione with care, as it may present health and safety risks if not used properly. Its applications in both organic synthesis and pharmaceutical research highlight its importance in the development of innovative chemical and medicinal products.

InChI:InChI=1/C15H11NO4/c17-14(11-4-2-1-3-5-11)10-15(18)12-6-8-13(9-7-12)16(19)20/h1-9H,10H2

Upstream product

• 99-81-0 4-Nitrophenacyl bromide 
• 38895-96-4 p-nitrochalcone dibromide 
• 98-86-2 acetophenone 
• 555-16-8 4-nitrobenzaldehdye 
• 70-11-1 α-bromoacetophenone 
• 532-27-4 1-chloroacetophenone 
• 3672-66-0 1-(4-nitrophenyl)-3-phenylprop-2-yn-1-one 
• 7647-01-0 hydrogenchloride 
• 67-56-1 methanol 
• 122-04-3 4-nitro-benzoyl chloride 
• 1222-98-6 4-nitrochalcone 
• 131293-13-5 3-N,N-diethylamino-1-p-nitrophenyl-3-phenyl-2-propen-1-one 
• 20716-05-6 2-benzoyl-1-(4-nitro-phenyl)-3-phenyl-propane-1,3-dione 
• 64-19-7 acetic acid 

Downstream Products

• 22711-24-6 4-nitrobenzil 
• 1233238-15-7 5-(4-nitrophenyl)-3-phenyl-1H-pyrazole 
• 13339-91-8 1-Phenyl-3-<4-nitrophenyl>-propantrion-2-triphenylphosphazin 
• 13339-93-0 1-Phenyl-3-<4-aminophenyl>-propantrion-2-triphenylphosphazin 
• 13340-01-7 Hydrazono-benzoyl-(4-nitro-benzoyl)-methan 
• 67502-84-5 4-(4-Nitrophenyl)-2-phenyl-3H-1,5-benzodiazepine 
• 3672-50-2 5-(4-nitrophenyl)-3-phenylisoxazole 
• 3282-32-4 2-diazo-acetophenone 
• 4203-31-0 2-diazo-1-(4-nitrophenyl)ethanone 
• 54458-35-4 (4-nitro-phenyl)-phenyl-propanetrione 
• 182162-16-9 2,2-dimethyl-1-(4'-nitrophenyl)-3-phenyl-1,3-propanedione 
• 31108-56-2 3-(4-nitrophenyl)-5-phenylisoxazole 
• 119701-63-2 2-Benzoyl-1-(4-nitro-phenyl)-5-phenyl-pentane-1,5-dione 

Relevant articles and documents

Transition-metal-free formal decarboxylative coupling of ?±-oxocarboxylates with ?±-bromoketones under neutral conditions: A simple access to 1,3-diketones

A transition-metal-free formal decarboxylative coupling reaction between ?±-oxocarboxylates and ?±-bromoketones to synthesize 1,3-diketone derivatives is presented. In this reaction, a broad scope of substrates can be employed, and neither a metal-based reagent nor an additional base is required. DFT calculations reveal that this reaction proceeds through a coupling followed by decarboxylation mechanism and the ?±-bromoketone unprecedentedly serves as a nucleophile under neutral conditions. The rate-determining step is an unusual hydrogen-bond-assisted enolate formation by thermolysis.

Nucleophilic acylation of α-haloketones with aldehydes: An umpolung strategy for the synthesis of 1,3-diketones

The first example of N-heterocyclic carbene (NHC)-promoted intermolecular acylation of α-haloketones with aldehydes and α,β-unsaturated aldehydes (enals) is reported. The protocol involves carbonyl umpolung reactivity of aldehydes and enals in which the carbonyl carbon attacks nucleophilically on electrophilic terminal of α-haloketones to afford 1,3-diketones and α,β-unsaturated 1,3-diketones, respectively. Short reaction time, ambient temperature, operational simplicity, and high yields are the salient features of the present procedure.

A novel synthesis of 1,3-diketones by reaction of an α-bromoketone with acyl chlorides promoted by gallium triiodide

Promoted by gallium triiodide, an α-bromoketone, bromomethyl phenyl ketone, is treated with acyl chlorides to synthesize 1,3-diketones in good yields under mild and neutral conditions.