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| | ISOCAFFEINE Basic information |
| Product Name: | ISOCAFFEINE | | Synonyms: | 2,6-DIHYDROXY-1,3,9-TRIMETHYLPURINE;1,3,9-TRIMETHYLXANTHINE;CAFFEINE IMP C;ISOCAFFEINE;3,9-dihydro-1,3,9-trimethyl-1H-purine-2,6-dione;1,3,9-TRIMETHYLXANTHINE (ISOCAFFEINE) 2, 6-DIHYDROXY-1,3,9-T;2,6-Dihydroxy-1,3,9-trimethylpurine, Isocaffeine;1,3,9- Trimethyllxanthine | | CAS: | 519-32-4 | | MF: | C8H10N4O2 | | MW: | 194.19 | | EINECS: | 208-267-7 | | Product Categories: | | | Mol File: | 519-32-4.mol |  |
| | ISOCAFFEINE Chemical Properties |
| Melting point | 288-290°C (dec.) | | Boiling point | 416.8±37.0 °C(Predicted) | | density | 1.45±0.1 g/cm3(Predicted) | | storage temp. | Room temp | | solubility | H2O: >20mg/mL | | form | solid | | pka | 0.74±0.70(Predicted) | | color | White to Off-White | | BRN | 196140 | | Major Application | (Pharmaceutical small molecule) |
| WGK Germany | 3 | | F | 10-23 | | Storage Class | 11 - Combustible Solids |
| | ISOCAFFEINE Usage And Synthesis |
| Uses | Isocaffeine is an impurity of Caffeine (C080100), a xanthine alkaloid that acts as a stimulant drug and a reversible acetylcholinesterase inhibitor. | | General Description | Pharmaceutical secondary standards for application in quality control provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards | | Biochem/physiol Actions | 1,3,9-Trimethylxanthine is an adenosine receptor antagonist. |
| | ISOCAFFEINE Preparation Products And Raw materials |
| Raw materials | 6-chloro-1,3-dimethyl-5-nitro-pyrimidine-2,4-quinone-->2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetonitrile-->1,3-Dimethyl-6-(methylamino)-5-nitrouracil-->1,3,9-Trimethyl-8-thioxo-8,9-dihydro-7H-purine-2,6(1H,3H)-dione-->methyl (1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate-->5-amino-1,3-dimethyl-6-(methylamino)-1,2,3,4-tetr ahydropyrimidine-2,4-dione-->3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanenitrile-->5,6-Diamino-1,3-dimethyluracil hydrate-->6-Chloro-1,3-dimethyl-2,4-(1H,3H)-pyrimidinedione-->1,3-Dimethylbarbituric acid-->Theophylline-->Formic acid-->Dimethyl sulfate | | Preparation Products | 2H-Pyran-2-one, 3,4,6-triphenyl- |
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