5415-41-8

Basic information

• Product Name: 8-iodo-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
• CAS NO: 5415-41-8
• Molecular Formula: C₈H₉IN₄O₂
• Molecular Weight: 320.0871
• Mol File: 5415-41-8.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 460°C at 760 mmHg
• Flash Point: 232°C
• Density: 2.11g/cm³
• Vapor Pressure: 1.21E-08mmHg at 25°C
• Refractive Index: 1.774
• CAS DataBase Reference: 8-iodo-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione(CAS DataBase Reference)
• NIST Chemistry Reference: 8-iodo-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione(5415-41-8)
• EPA Substance Registry System: 8-iodo-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione(5415-41-8)

Safety Data

• Hazardous Substances Data: 5415-41-8(Hazardous Substances Data)

Usage

Structure

Contains an iodine atom at the 8 position in the purine ring

Function

Stimulant

Potential Medical Uses

Treatment of respiratory depression
Potential effects on the central nervous system

Pharmacokinetics and Pharmacodynamics

Altered compared to caffeine due to the presence of iodine atom
Requires further research for comprehensive understanding

Research Needs

Additional studies to fully elucidate its potential uses and effects

Upstream product

• 58-08-2 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione 
• 1790-74-5 1,3,7-trimethyl-8-thio-uric acid 
• 6937-66-2 8,8'-mercuribis-caffeine 
• 131364-13-1 8-chloromercuricaffeine 
• 6336-13-6 8-acetoxymercuri-caffeine 
• 77-78-1 dimethyl sulfate 

Downstream Products

• 89588-28-3 2,3,6,7-tetrahydro-1,3,7-trimethyl-2,6-dioxo-1H-purine-8-carbonitrile 
• 1310492-21-7 8-(7-(benzyloxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptyl)-1,3,7-trimethyl-1H-purine-2,6(3H,7H)-dione 
• 5436-38-4 8-morpholinocaffeine 

Relevant articles and documents

A convenient one-pot synthesis of N-substituted 2-aminoazole derivatives

A practical protocol for the one-pot synthesis of N-substituted 2-aminoazole derivatives is described, employing simple azole substrates, nitrogen nucleophiles, lithium tert-butoxide as the base, and iodine to mediate carbon-nitrogen bond formation. This method proceeds at room temperature under an air atmosphere using a normal benchtop set-up, or can be performed conveniently using microwave irradiation. Georg Thieme Verlag Stuttgart - New York.

Direct Aromatic Mercuration by Means of Mercury(II) Trichloroacetate Prepared in situ

The stable phenylmercury chloride (III) is furnished in 70percent yield when benzene is directly mercurated by mercury(II) trichloroacetate (I) obtained in situ by the method described in the present paper.This procedure was unsuitable with the less reactive caffeine, thus unknown so far 8-chloromercuricaffeine (IV) was prepared in situ, in 83percent yield, by adding aq. solution of NaCl to a solution of 8-acetoxymercuricaffeine obtained by the known method.Iodo demercuration of III or IV by hot aq. solutions of KI3 gave either iodobenzene or 8-iodocaffeine in 59percent or 65percent yields,respectively.