1-N-HEXYLTHEOBROMINE Chemical Properties

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

Hazard Codes 

Xi,Xn

Risk Statements 

22

Safety Statements 

22-36/37-36

RTECS 

UO8450000

TSCA 

T

HazardClass 

IRRITANT-HARMFUL

MSDS

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1-N-HEXYLTHEOBROMINE Usage And Synthesis

Originator

Pentifylline,Shanghai Lansheng

Uses

Stabilizer of vitamin preparations: Nook, Eidebenz, DE 1810705 (1970 to Chem. Werke Albert).

Uses

A vasodilator

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

1-N-HEXYLTHEOBROMINE(1028-33-7)Related Product Information

• Theobromine
• Pentoxifylline
• HYDROXY PENTOXIFYLLINE
• THEOBROMINE
• Theophylline
• Card-Cosaldon
• Cosaldon A&E
• Hydroxy Pentoxifylline-d6
• PENTOXIFYLLINE-4',4',6',6',6',8-D6
• 1-(5-hydroxyhexyl)-3,7-dimethyl-purine-2,6-dione
• 3-ethyl-1-(6-hydroxy-6-methylheptyl)-7-propylxanthine
• Torbafylline
• PROPENTOFYLLINE
• 1-N-HEXYLTHEOBROMINE
• PENTOXIFYLLINE-D6