3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanenitrile

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3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanenitrile Basic information
Product Name:3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanenitrile
Synonyms:3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanenitrile;7-(2-Cyanoethyl)-theophylline;7H-Purine-7-propanenitrile, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-
CAS:1811-38-7
MF:C10H11N5O2
MW:233.23
EINECS:
Product Categories:
Mol File:1811-38-7.mol
3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanenitrile Structure
3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanenitrile Chemical Properties
Melting point 160 °C
Boiling point 525.9±56.0 °C(Predicted)
density 1.42±0.1 g/cm3(Predicted)
pka0.14±0.70(Predicted)
form Solid
color Off-White
Safety Information
MSDS Information
3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanenitrile Usage And Synthesis
Uses7-(2-Cyanoethyl)-theophylline is an intermediate in the synthesis of Isocaffeine which is an impurity of Caffeine (C080100), a xanthine alkaloid that acts as a stimulant drug and a reversible acetylcholinesterase inhibitor.
3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanenitrile Preparation Products And Raw materials
Preparation ProductsISOCAFFEINE
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