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

3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanenitrile Structure
CAS No.
1811-38-7
Chemical Name:
3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanenitrile
Synonyms
7-(2-Cyanoethyl)-theophylline;3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanenitrile;7H-Purine-7-propanenitrile, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-
CBNumber:
CB13200484
Molecular Formula:
C10H11N5O2
Molecular Weight:
233.23
MOL File:
1811-38-7.mol
Modify Date:
2023/4/23 13:52:06
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3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanenitrile Properties

Melting point 160 °C
Boiling point 525.9±56.0 °C(Predicted)
Density 1.42±0.1 g/cm3(Predicted)
pka 0.14±0.70(Predicted)
form Solid
color Off-White

3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanenitrile Chemical Properties,Uses,Production

Uses

7-(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

Raw materials

Preparation Products

ISOCAFFEINE

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

Global( 7)Suppliers
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CLEARSYNTH LABS LTD. +91-22-45045900 Hyderabad, India 6257 58 Inquiry
Anqing Fengzhu Wenyan Pharmaceutical Technology Co., Ltd 18155679192 China 170 58 Inquiry
Biosynth Biological Technology (Suzhou) Co Ltd 51288865780 China 233051 58 Inquiry
Toronto Research Chemicals +1 (416) 665-9696 Canada 6038 71 Inquiry
Specs +31 15 251 8111 The Netherlands 6833 70 Inquiry
Shanghai Hao Zhun Biological Technology Co., Ltd. 15800340161 CHINA 6650 58 Inquiry
Supplier Advantage
CLEARSYNTH LABS LTD. 58
Anqing Fengzhu Wenyan Pharmaceutical Technology Co., Ltd 58
Biosynth Biological Technology (Suzhou) Co Ltd 58
Toronto Research Chemicals 71
Specs 70
Shanghai Hao Zhun Biological Technology Co., Ltd. 58
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- 1811-38-7