1-N-HEXYLTHEOBROMINE
- CAS NO.:1028-33-7
- Empirical Formula: C13H20N4O2
- Molecular Weight: 264.32
- MDL number: MFCD00041424
- EINECS: 213-842-0
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-03-12 18:10:29
What is 1-N-HEXYLTHEOBROMINE?
Originator
Pentifylline,Shanghai Lansheng
The Uses of 1-N-HEXYLTHEOBROMINE
Stabilizer of vitamin preparations: Nook, Eidebenz, DE 1810705 (1970 to Chem. Werke Albert).
The Uses of 1-N-HEXYLTHEOBROMINE
A vasodilator
What are the applications of Application
1-n-Hexyltheobromine is a useful biochemical for proteomics research
Definition
ChEBI: Pentifylline is an oxopurine.
Manufacturing Process
The mixture 25 g theobromine, 38 ml 4 N sodium hydroxide, 60 ml isopropanol, and 17 g n-hexyl chloride were heated 24 hours to 100°C in autoclave. The solvent was removed and the residual alkaline solution was extracted with chloroform, water layer was acidified. Yield of 1-hexyl-3,7dimethylxanthine was 88%; MP: 82°-83°C. The product may be prepared from theobromine sodium. 20.2 g theobromine sodium, 20 n-hexyl bromide and 100 ml toluene were ground 10 hours at 100°C in a ball mill. After above written treatment 22.3 g (84.5%) 1-hexyltheobromine was prepared; MP: 84°C.
Therapeutic Function
Vasodilator, Diuretic
Properties of 1-N-HEXYLTHEOBROMINE
| Melting point: | 80-81°C |
| Boiling point: | 452.5±37.0 °C(Predicted) |
| Density | 1.23±0.1 g/cm3(Predicted) |
| pka | 0.53±0.70(Predicted) |
| Merck | 14,7127 |
| BRN | 270632 |
| CAS DataBase Reference | 1028-33-7(CAS DataBase Reference) |
Safety information for 1-N-HEXYLTHEOBROMINE
| Signal word | Warning |
| Pictogram(s) |
![]() Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P330:Rinse mouth. |
Computed Descriptors for 1-N-HEXYLTHEOBROMINE
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