51389-37-8

Basic information

• Product Name: 1,3,7-trimethyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-3,7-dihydro-1H-purine-2,6-dione
• Synonyms: 1H-purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-
• CAS NO: 51389-37-8
• Molecular Formula: C₁₉H₂₂N₄O₅
• Molecular Weight: 386.4018
• Mol File: 51389-37-8.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 607.4°C at 760 mmHg
• Flash Point: 321.1°C
• Density: 1.29g/cm³
• Vapor Pressure: 1.06E-14mmHg at 25°C
• Refractive Index: 1.599
• CAS DataBase Reference: 1,3,7-trimethyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-3,7-dihydro-1H-purine-2,6-dione(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3,7-trimethyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-3,7-dihydro-1H-purine-2,6-dione(51389-37-8)
• EPA Substance Registry System: 1,3,7-trimethyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-3,7-dihydro-1H-purine-2,6-dione(51389-37-8)

Safety Data

• Hazardous Substances Data: 51389-37-8(Hazardous Substances Data)

Usage

Molecular structure

The compound has a purine base structure with three methyl groups at the 1, 3, and 7 positions, and a phenylethynyl moiety at the 8 position.

Phenylethynyl group substitution

The phenylethynyl group is substituted with three methoxy groups at the 2, 3, and 4 positions.

Potential pharmacological properties

Due to its unique molecular structure, the compound may have potential pharmacological properties or applications.

Organic synthesis applications

The compound may also have potential uses in organic synthesis.

Further research needed

Further research and evaluation of this compound are required to fully understand its properties and potential uses.

Molecular weight

The molecular weight of the compound is approximately 420.45 g/mol.

Stereochemistry

The compound has a (E)-configuration at the phenylethynyl moiety, indicating that the double bond has a trans configuration.

Solubility

The solubility of the compound in various solvents is not provided in the material, but it may be influenced by its molecular structure and functional groups.

Stability

The stability of the compound under different conditions (e.g., temperature, pH, light exposure) is not provided in the material, but it may be affected by its molecular structure and functional groups.

Upstream product

• 147700-34-3 1,3-dimethyl-8-(3,4,5-trimethoxy-styryl)-3,7-dihydro-purine-2,6-dione 
• 74-88-4 methyl iodide 
• 959030-60-5 (E)-N-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-3-(3,4,5-trimethoxy-phenyl)-acrylamide 
• 5440-00-6 4,5-Diamino-1,3-dimethyluracil 
• 20329-98-0 (E)-3,4,5-trimethoxy-cinnamic acid 

Downstream Products

• 147700-27-4 1,3,7-trimethyl-8-[3,5-dimethoxy-4-[(4-aminobutyl)oxy]-styryl]xanthine 
• 147700-29-6 1,3,7-trimethyl-8-{3,5-dimethoxy-4-[(4-amino-trans-butenyl)oxy]styryl}xanthine 
• 147700-24-1 KF₄₉₁₉₉ 

Relevant articles and documents

Structure-activity relationships of 8-styrylxanthines as A2-selective adenosine antagonists

A series of substituted 8-styryl derivatives of 1,3,7-alkylxanthines was synthesized as potential A2-selective adenosine receptor antagonists, and the potency at rat brain A1- and A2-receptors was studied in radioligand bi