6279-37-4

Basic information

• Product Name: 1,3,7-trimethyl-8-phenoxy-3,7-dihydro-1H-purine-2,6-dione
• Synonyms: 1,3,7-Trimethyl-8-phenoxy-3,7-dihydro-1H-purine-2,6-dione; 1,3,7-Trimethyl-8-phenoxy-3,7-dihydro-purine-2,6-dione; 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8-phenoxy-
• CAS NO: 6279-37-4
• Molecular Formula: C₁₄H₁₄N₄O₃
• Molecular Weight: 286.286
• Mol File: 6279-37-4.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 481.9°C at 760 mmHg
• Flash Point: 245.3°C
• Density: 1.37g/cm³
• Vapor Pressure: 1.91E-09mmHg at 25°C
• Refractive Index: 1.66
• CAS DataBase Reference: 1,3,7-trimethyl-8-phenoxy-3,7-dihydro-1H-purine-2,6-dione(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3,7-trimethyl-8-phenoxy-3,7-dihydro-1H-purine-2,6-dione(6279-37-4)
• EPA Substance Registry System: 1,3,7-trimethyl-8-phenoxy-3,7-dihydro-1H-purine-2,6-dione(6279-37-4)

Safety Data

• Hazardous Substances Data: 6279-37-4(Hazardous Substances Data)

Usage

Class

Xanthine alkaloid

Derivation

Derived from purine

Related Compounds

Closely related to caffeine and theobromine

Function

Bronchodilator and smooth muscle relaxant

Medical Applications

Treatment of asthma and chronic obstructive pulmonary disorder (COPD)

Mechanism of Action

Widens air passages in the lungs and decreases sensitivity of airways to irritants

Additional Effects

Mild diuretic effect and used to treat certain types of heart arrhythmias

Forms

Available in tablets, capsules, and injections

Precautions

Should be used cautiously due to potential side effects and interactions with other medications

Upstream product

• 108-95-2 phenol 
• 58-08-2 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione 
• 4921-49-7 8-chlorocaffeine 

Downstream Products

• 5415-44-1 1,3,7-trimethyluric acid 
• 108-95-2 phenol 

Relevant articles and documents

Electrochemical C?H Functionalization of (Hetero)Arenes—Optimized by DoE

A novel approach towards the activation of different arenes and purines including caffeine and theophylline is presented. The simple, safe and scalable electrochemical synthesis of 1,1,1,3,3,3-hexafluoroisopropanol (HFIP) aryl ethers was conducted using an easy electrolysis setup with boron-doped diamond (BDD) electrodes. Good yields up to 59 percent were achieved. Triethylamine was used as a base as it forms a highly conductive media with HFIP, making additional supporting electrolytes superfluous. The synthesis was optimized using Design of Experiment (DoE) techniques giving a detailed insight to the significance of the reaction parameters. The mechanism was investigated by cyclic voltammetry (CV). Subsequent transition metal-catalyzed as well as metal-free functionalization led to interesting motifs in excellent yields up to 94 percent.