5219-04-5

Basic information

• Product Name: 2-(4-methoxyphenyl)-3-oxo-3-phenylpropanenitrile
• Synonyms: 2-(4-Methoxyphenyl)-3-oxo-3-phenylpropanenitrile; benzenepropanenitrile, alpha-(4-methoxyphenyl)-beta-oxo-
• CAS NO: 5219-04-5
• Molecular Formula: C₁₆H₁₃NO₂
• Molecular Weight: 251.2799
• Mol File: 5219-04-5.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 424°C at 760 mmHg
• Flash Point: 185.3°C
• Density: 1.161g/cm³
• Vapor Pressure: 2.13E-07mmHg at 25°C
• Refractive Index: 1.58
• CAS DataBase Reference: 2-(4-methoxyphenyl)-3-oxo-3-phenylpropanenitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(4-methoxyphenyl)-3-oxo-3-phenylpropanenitrile(5219-04-5)
• EPA Substance Registry System: 2-(4-methoxyphenyl)-3-oxo-3-phenylpropanenitrile(5219-04-5)

Safety Data

• Hazardous Substances Data: 5219-04-5(Hazardous Substances Data)

Usage

Nitrile derivative

2-(4-methoxyphenyl)-3-oxo-3-phenylpropanoic acid The compound is derived from the parent molecule 2-(4-methoxyphenyl)-3-oxo-3-phenylpropanoic acid by replacing the carboxylic acid group with a nitrile group (CN).

Common use

Precursor in organic synthesis and pharmaceutical research The compound is often used as a starting material or intermediate in the synthesis of other organic compounds and is also studied for its potential applications in pharmaceuticals.

Physical appearance

White to off-white crystalline solid The compound forms a solid with a white to off-white color and a crystalline structure.

Solubility

Slightly soluble in water, soluble in organic solvents The compound does not dissolve well in water but dissolves easily in many organic solvents, such as ethanol or methanol.

Potential therapeutic applications

Anti-inflammatory and antitumor agent Research has shown that the compound may have potential as an anti-inflammatory and antitumor agent due to its ability to inhibit certain enzymes involved in inflammation and cancer cell proliferation.

Research status

Promising results, further research needed While the compound has shown promise in inhibiting enzymes related to inflammation and cancer, more research is required to fully understand its pharmacological potential and possible applications.

Upstream product

• 93-58-3 benzoic acid methyl ester 
• 104-47-2 p-methoxybenzylnitrile 
• 4231-62-3 1-benzoyl-1H-benzotriazole 
• 93-89-0 benzoic acid ethyl ester 

Downstream Products

• 6343-93-7 2-(4-methoxyphenyl)acetamide 
• 1369597-17-0 6-methoxy-1-(4-methoxyphenyl)-2-phenyl-1H-indene-1,3-dicarbonitrile 
• 117-37-3 anisindione 
• 20442-66-4 3-(4-methoxyphenyl)-1-phenylprop-2-yn-1-one 
• 805238-98-6 3-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine 
• 355116-21-1 (4-methoxyphenyl)(tetrazol-5-yl)methyl phenyl ketone 
• 135085-15-3 4-(4-methoxy-phenyl)-5-phenyl-1H-pyrazol-3-ylamine 
• 20604-08-4 3-amino-2-(4-methoxyphenyl)-1-inden-1-one 
• 5218-97-3 2-<4-Methoxy-phenyl>-3-oxo-3-phenyl-propionsaeure-amid 
• 5219-12-5 ethyl 2-(4-methoxyphenyl)-3-oxo-3-phenylpropanoate 

Relevant articles and documents

Oxidative aromatic C-O bond formation: synthesis of 3-functionalized benzo[b]furans by FeCl3-mediated ring closure of a-Aryl ketones

A variety of 3-functionalized benzo[b]furans were achieved by way of a FeCl3-medlated Intramolecular cyclization of electron-rich a-aryl ketones. The alkoxy substituent on the benzene ring In the substrates was essential for an efficient cyclization to occur. This novel method allows the construction of benzo[b]furan rings by joining the O-atom on the side chain to the benzene ring via direct oxidative aromatic C-O bond formation.

Pyrazolo[1,5-a]pyrimidines as estrogen receptor ligands: Defining the orientation of a novel heterocyclic core

We investigated the pyrazolo[1,5-a]pyrimidine system as a novel heterocyclic scaffold for the development of estrogen receptor (ER) ligands. By altering the pattern of hydroxyl substitution, we established the orientation that is most favorable for ER bin

The reaction of 2-(tetrazol-5-yl)alkyl ketones and of 2-(tetrazol-5-yl)alkanoic acid derivatives with lead tetraacetate. A novel method of preparation of alk-2-ynyl ketones and alk-2-ynoic acid derivatives

The majority of tetrazolylacetyl derivatives 2 and 7, when treated with lead tetraacetate in dry 1,4-dioxane at room or lower temperature, are oxidized with elimination of molecular nitrogen mainly to the corresponding alkynoyl derivatives 4 and 8, respectively. Vinylidenes (25) have been shown to be the intermediates of the reaction. The reaction does not take place when either the tetrazolyl group is N-substituted or the carbon atom separating the tetrazolyl and the carbonyl groups is disubstituted or these two groups are separated by two carbon atoms as in compound 17. The reaction offers a convenient method for the conversion of 2-cyanoacetyl derivatives into alk-2-ynoyl derivatives via intermediate tetrazolylacetyl derivatives. The 4-methoxyanilide 7o reacts differently, affording the fused heterocyclic compounds 19o and 20o.