6021-23-4

Basic information

• Product Name: 2-(5-{(E)-[1-(4-chlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)benzoic acid
• Synonyms: 2-(5-{(E)-[1-(4-Chlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-furyl)benzoic acid; 2-(5-{(E)-[1-(4-Chlorophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-2-furyl)benzoic acid; benzoic acid, 2-[5-[(E)-[1-(4-chlorophenyl)-1,6-dihydro-4-hydroxy-2,6-dioxo-5(2H)-pyrimidinylidene]methyl]-2-furanyl]-; Benzoic acid, 2-[5-[(E)-[1-(4-chlorophenyl)tetrahydro-2,4,6-trioxo-5(2H)-pyrimidinylidene]methyl]-2-furanyl]-
• CAS NO: 6021-23-4
• Molecular Formula: C₉H₁₄N₂
• Molecular Weight: 436.8014
• Mol File: 6021-23-4.mol
• Article Data: 3

Chemical Properties

• Density: 1.518g/cm³
• Refractive Index: 1.687
• CAS DataBase Reference: 2-(5-{(E)-[1-(4-chlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)benzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(5-{(E)-[1-(4-chlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)benzoic acid(6021-23-4)
• EPA Substance Registry System: 2-(5-{(E)-[1-(4-chlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)benzoic acid(6021-23-4)

Safety Data

• Hazardous Substances Data: 6021-23-4(Hazardous Substances Data)

Usage

Molecular Structure

Benzene ring with a carboxylic acid group
Furan ring
Tetrahydropyrimidinone ring
4-chlorophenyl group attached to the tetrahydropyrimidinone ring

Potential Applications

Pharmaceutical industry
Industrial uses
Building block in organic synthesis

Biological Activity

The structure suggests the possibility of biological activity

Further Study and Analysis

Needed to reveal potential uses and properties

Upstream product

• 532-12-7 Myosmine 
• 626-55-1 3-Bromopyridine 
• 21011-66-5 3-(3-chloropropyl)pyridine 
• 27678-09-7 4-pyridin-3-yl-butyronitrile 
• 7440-48-4 cobalt 

Downstream Products

• 120553-72-2 (E)-5,5-bis[3-(Trifluoromethyl)phenyl]-N-[4-[3-pyridinyl)butyl]-2,4-pentadienamide 
• 120555-14-8 (E,E)-5-(4-methoxyphenyl)-5-(3-pyridinyl)-N-[4-(3-pyridinyl)butyl]-2,4-pentadienamide 
• 122294-25-1 3'-(phenylmethoxy)-N-<4-(3-pyridinyl)butyl>-1,1'-biphenyl-4-carboxamide 

Relevant articles and documents

Synthesis and structure-bactericidal activity relationships of non-ketolides: 9-Oxime clarithromycin 11,12-cyclic carbonate featured with three-to eight-atom-length spacers at 3-OH

In general, potent non-ketolide versions of erythromycin possessed conformationally constricted two- or three-atom-length sidechains at 3-OH. Novel 14-membered non-ketolides possessing long spacers beyond three-atom length were evaluated for antibacterial

Structural Factors Affecting the Basicity of ω-Pyridylalkanols, ω-Pyridylalkanamides and ω-Pyridylalkylamines

The present paper describes the preparation by conventional methods (when not available commercially) and the pKa-determination of the α-, β- and γ-isomers of pyridylethanamide, 3-pyridylpropanamide, 4-pyridylbutanamide, 5-pyridylpentanamide, pyridylmethanol, 2-pyridylethanol, 3-pyridylpropanol, 4-pyridylbutanol, 5-pyridylpentanol, pyridylmethylamine, 2-pyridylethylamine, 3-pyridylpropylamine, 4-pyridylbutylamine, and 5-pyridylpentylamine.While a field effect accounts for many variations in pKa as a function of chain length, marked inductive effects are operative in some methyl and ethyl homologs.The pKa-decreasing influence of an intramolecular H-bond is also apparent in some lower homologs belonging to the α-series.