27760-74-3

Basic information

• Product Name: 1,3-dimethyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione
• Synonyms: 1,3-Dimethyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione; 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-propyl-; Theophylline, n-propyl derivative
• CAS NO: 27760-74-3
• Molecular Formula: C₁₀H₁₄N₄O₂
• Molecular Weight: 222.2438
• Mol File: 27760-74-3.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 424.7°C at 760 mmHg
• Flash Point: 210.7°C
• Density: 1.34g/cm³
• Vapor Pressure: 2.02E-07mmHg at 25°C
• Refractive Index: 1.638
• CAS DataBase Reference: 1,3-dimethyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-dimethyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione(27760-74-3)
• EPA Substance Registry System: 1,3-dimethyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione(27760-74-3)

Safety Data

• Hazardous Substances Data: 27760-74-3(Hazardous Substances Data)

Usage

General Description

1,3-dimethyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione, also known as caffeine, is a naturally occurring chemical compound found in various plants, most notably in coffee beans, tea leaves, and cacao pods. It is a central nervous system stimulant, and is commonly consumed for its stimulating effects on mood, alertness, and physical performance. Caffeine works by blocking the action of a neurotransmitter called adenosine, which promotes relaxation and sleepiness. It also stimulates the release of adrenaline, which can increase heart rate and blood pressure. Due to its widespread use and effects on the body, caffeine is a well-studied compound with both potential benefits and risks associated with its consumption.

Upstream product

• 61444-26-6 7-allyl-1,3-dimethylxanthine 
• 57533-87-6 1,3-Dimethylxanthine potassium salt 
• 107-08-4 1-iodo-propane 
• 58-55-9 theophylline 

Downstream Products

• 55242-64-3 3-methyl-7-propyl-xanthine 
• 117835-45-7 5-[6-(4-chlorophenoxy)hexylaminocarbonyl]-4-methylamino-1-propylimidazole 
• 117835-22-0 1-[4-(4-methoxyphenoxy)butyl]-3-methyl-7-propylxanthine 
• 117835-24-2 1-[6-(4-chlorophenoxy)hexyl]-3-methyl-7-propylxanthine 
• 117835-23-1 1-[6-(4-methoxyphenoxy)hexyl]-3-methyl-7-propylxanthine 
• 117835-62-8 1-<6-(4-chlorophenoxy)hexyl>-6-propyl-1,3,6,7-tetrahydro-3-methyl-7-oxoimidazo<4,5-c><1,2,6>thiadiazine 2-oxide 
• 117835-71-9 5-chloro-1-<6-(4-chlorophenoxy)hexyl>-6-propyl-1,3,6,7-tetrahydro-3-methyl-7-oxoimidazo<4,5-c><1,2,6>thiadiazine 2-oxide 
• 117835-44-6 5-Methylamino-3-propyl-3H-imidazole-4-carboxylic acid [4-(4-methoxy-phenoxy)-butyl]-amide; compound with picric acid 
• 117869-46-2 5-Methylamino-3-propyl-3H-imidazole-4-carboxylic acid [6-(4-methoxy-phenoxy)-hexyl]-amide; compound with picric acid 
• 249929-64-4 1,3-dimethyl-8-phenyl-7-n-propylxanthine 

Relevant articles and documents

Double C-H activation: The palladium-catalyzed direct C-arylation of xanthines with arenes

The novel Pd-catalyzed C(sp2)-H/C(sp2)-H cross-coupling of unactivated xanthines with unactivated arenes utilizing a combination of Ag(I) and O2 as oxidants exclusively yields C-8 arylated xanthines in a single synthetic o

Analogue of Coffeine and Theophylline: Effect of Structural Alterations on Affinity at Adenosine Receptors

A variety of analogues of caffeine and theophylline in which the 1-, 3-, and 7-methyl substituents have been replaced with n-propyl, allyl, propargyl, and isobutyl and, in few cases with chloroethyl, hydroxyethyl, or benzyl were assessed for potency and s