| Identification | More | [Name]
1-N-HEXYLTHEOBROMINE | [CAS]
1028-33-7 | [Synonyms]
1-HEXYLTHEOBROMIDE
1-HEXYLTHEOBROMINE
1-N-HEXYL-3,7-DIMETHYLXANTHINE
1-N-HEXYLTHEOBROMINE
PENTIFYLLINE
1-Hexyl-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione
1-Hexyl-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
1-Hexyl-3,7-dimethylxanthine
1-hexyl-theobromin
1H-Purine-2,6-dione, 1-hexyl-3,7-dihydro-3,7-dimethyl-
1H-Purine-2,6-dione, 3,7-dihydro-1-hexyl-3,7-dimethyl-
3,7-dihydro-1-hexyl-3,7-dimethyl-1h-purine-6-dione
component of Cosaldon
Cosadon
Cosaldon
Hexyltheobromine
Pentifyllin
SK 7
sk7
sk7(pharmaceutical) | [EINECS(EC#)]
213-842-0 | [Molecular Formula]
C13H20N4O2 | [MDL Number]
MFCD00041424 | [Molecular Weight]
264.32 | [MOL File]
1028-33-7.mol |
| Questions And Answer | Back Directory | [Preparation]
NaH (444 mg, 11 mmol, 60% in mineral oil) was washed with hexane (2 × 8 mL) and then suspended in DMSO (30 mL) under nitrogen. The NaH solution was heated to 60 °C with stirring, and then theobromine (1.2 g, 11 mmol) was added as a solid in one go. After 20 minutes, the desired alkyl halide (11 mmol) was added in one go, allowing the reaction to proceed overnight, then cooled to room temperature and quenched with water (2 mL). After concentrating the solution under vacuum, the resulting solid was resuspended in CHCl3 (50 mL). The solution was washed with saturated ammonium chloride (20 mL), then washed with brine (20 mL) and concentrated. 1-N-HEXYLTHEOBROMINE (5): Yield of recovery = 2.6 g pale yellow solid, 89%. |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,Xn | [Risk Statements ]
R22:Harmful if swallowed. | [Safety Statements ]
S22:Do not breathe dust .
S36/37:Wear suitable protective clothing and gloves .
S36:Wear suitable protective clothing . | [RTECS ]
UO8450000 | [TSCA ]
T | [HazardClass ]
IRRITANT-HARMFUL |
| Hazard Information | Back Directory | [Originator]
Pentifylline,Shanghai Lansheng | [Uses]
A vasodilator | [Uses]
Stabilizer of vitamin preparations: Nook, Eidebenz, DE 1810705 (1970 to Chem. Werke Albert). | [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 |
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