5436-38-4

Basic information

• Product Name: 1,3,7-trimethyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione
• Synonyms: 1,3,7-Trimethyl-8-morpholin-4-yl-3,7-dihydro-purine-2,6-dione; 1H-purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8-(4-morpholinyl)-
• CAS NO: 5436-38-4
• Molecular Formula: C₁₂H₁₇N₅O₃
• Molecular Weight: 279.2951
• Mol File: 5436-38-4.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 495.8°C at 760 mmHg
• Flash Point: 253.6°C
• Density: 1.49g/cm³
• Vapor Pressure: 5.74E-10mmHg at 25°C
• Refractive Index: 1.693
• CAS DataBase Reference: 1,3,7-trimethyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3,7-trimethyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione(5436-38-4)
• EPA Substance Registry System: 1,3,7-trimethyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione(5436-38-4)

Safety Data

• Hazardous Substances Data: 5436-38-4(Hazardous Substances Data)

Usage

Class

Methylxanthine

Chemical structure

Purine ring system with three methyl groups and a morpholine ring attached

Natural occurrence

Found in coffee, tea, and other beverages

Uses

Stimulant for the central nervous system, improves mental alertness, increases energy, reduces fatigue

Additional properties

Diuretic, can increase metabolism

Popularity

Ingredient in weight loss supplements, medications, and dietary supplements

Side effects

Insomnia, nervousness, increased heart rate (with excessive consumption)

Upstream product

• 110-91-8 morpholine 
• 4921-49-7 8-chlorocaffeine 
• 58-08-2 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione 
• 5415-41-8 8-iodo-1,3,7-trimethyl-3,7-dihydro-1 H-purine-2,6-dione 

Relevant articles and documents

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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.