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ChemicalBook--->CAS DataBase List--->1028-33-7

1028-33-7

1028-33-7 Structure

1028-33-7 Structure
IdentificationMore
[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
Chemical PropertiesBack Directory
[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 DataBack 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 InformationBack 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
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

1-n-Hexyltheobromine, 98+%(1028-33-7)
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