57533-87-6

Basic information

• Product Name: 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, potassium salt
• Synonyms: 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, potassium salt
• CAS NO: 57533-87-6
• Molecular Formula: C₇H₇N₄O₂*K
• Molecular Weight: 219.26232
• EINECS: 260-798-3
• Mol File: 57533-87-6.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 454.1°Cat760mmHg
• Flash Point: 228.4°C
• Appearance: /
• Density: g/cm³
• Vapor Pressure: 1.96E-08mmHg at 25°C
• CAS DataBase Reference: 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, potassium salt(CAS DataBase Reference)
• NIST Chemistry Reference: 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, potassium salt(57533-87-6)
• EPA Substance Registry System: 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, potassium salt(57533-87-6)

Safety Data

• Hazardous Substances Data: 57533-87-6(Hazardous Substances Data)

Usage

InChI:InChI=1/C7H8N4O2.K/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;/h3H,1-2H3,(H,8,9);/q;+1

Upstream product

• 58-55-9 theophylline 

Downstream Products

• 107-31-3 Methyl formate 
• 58-08-2 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione 
• 1021-65-4 7-butyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione 
• 23043-88-1 7-ethyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione 
• 27760-74-3 7-Propyltheophylline 
• 78491-57-3 1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydropurine-2,6-dione 
• 95250-49-0 3,7-dihydro-1,3-dimethyl-7-<4-<4-<3-(phenylthio)propyl>piperazin-1-yl>-2-butenyl>-1H-purine-2,6-dione 
• 132373-50-3 1,3-Dimethyl-6-phenyl-1H,5H-8-thia-1,3,4b,9-tetraaza-fluorene-2,4-dione 
• 132373-44-5 [1,3-Dimethyl-2,6-dioxo-7-(2-oxo-2-phenyl-ethyl)-2,3,6,7-tetrahydro-1H-purin-8-ylsulfanyl]-acetic acid 
• 58-55-9 theophylline 

Relevant articles and documents

Nucleophilic reactivities of the anions of nucleobases and their subunits

The kinetics of the reactions of different heterocyclic anions derived from imidazoles, purines, pyrimidines, and related compounds with benzhydrylium ions and structurally related quinone methides have been studied in DMSO and water. The second-order rate constants (logk2) correlated linearly with the electrophilicity parameters E of the electrophiles according to the correlation logk2 = sN(N+E) (H. Mayr, M. Patz, Angew. Chem. 1994, 106, 990-1010; Angew. Chem. Int. Ed. Engl. 1994, 33, 938-957) allowing us to determine the nucleophilicity parameters N and sN for these anions. In DMSO, the reactivities of these heterocyclic anions vary by more than six orders of magnitude and are comparable to carbanions, amide and imide anions, or amines. The azole anions are generally four to five orders of magnitude more reactive than their conjugate acids. Copyright