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519-37-9

519-37-9 Structure

519-37-9 Structure
IdentificationMore
[Name]

7-(2-HYDROXYETHYL)THEOPHYLLINE
[CAS]

519-37-9
[Synonyms]

1,3-DIMETHYL-7-[2-HYDROXYETHYL]-XANTHINE
1,3-DIMETHYL-7-(BETA-HYDROXYETHYL)XANTHINE
7-(2-HYDROXYETHYL)THEOPHYLLINE
7-(A-HYDROXYETHYL)THEOPHYLLINE
7-(BETA-HYDROXYETHYL)THEOPHYLLINE
BETA-HYDROXYETHYLTHEOPHYLLINE
BIOPHYLLINE
ETOFYLLINE
THEOPHYLLINE, 7-(BETA-HYDROXYETHYL)
1H-Purine-2,6-dione, 3,7-dihydro-7-(2-hydroxyethyl)-1,3-dimethyl-
3,7-Dihydro-7-(2-hydroxyethyl)-1,3-dimethyl-1H-purine-2,6-dione
3,7-dihydro-7-(2-hydroxyethyl)-1,3-dimethyl-1h-purine-6-dione
7-(2-Hydroxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-(2-Hydroxyethyl)-1,3-dimethylxanthine
7-(2-hydroxyethyl)-theophyllin
7-(Hydroxyethyl)theophylline
7-Theophyllineethanol
Aethophyllinum
Ascorphylline
b-hydroxyethyltheophylline
[EINECS(EC#)]

208-269-8
[Molecular Formula]

C9H12N4O3
[MDL Number]

MFCD00055055
[Molecular Weight]

224.22
[MOL File]

519-37-9.mol
Chemical PropertiesBack Directory
[Melting point ]

163°C
[Boiling point ]

365.61°C (rough estimate)
[density ]

1.3055 (rough estimate)
[refractive index ]

1.6300 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

H2O: Solutions may be stored for several days at 4°C.soluble
[form ]

solid
[pka]

14.48±0.10(Predicted)
[color ]

white
[Water Solubility ]

2.991g/L(temperature not stated)
[Merck ]

3878
[CAS DataBase Reference]

519-37-9(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S36:Wear suitable protective clothing .
S36/37:Wear suitable protective clothing and gloves .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

3
[RTECS ]

XH5850000
[HS Code ]

2939590000
Hazard InformationBack Directory
[Chemical Properties]

White Solid
[Originator]

Duolip,Merckle,W. Germany,1981
[Uses]

Useful synthetic intermediate in the preparation of 7-substituted xanthines.
[Uses]

An inhibitor of 3’,5’-Cyclic Nucleotide Phosphodiesterase. Therapeutically, this compound has diuretic, muscle relaxant, bronchial dilation and CNS stimulant activities.
[Uses]

Cardiac analeptic;Phosphodiesterase inhibitor
[Definition]

ChEBI: 7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione is an oxopurine.
[Manufacturing Process]

107.3 g (0.5 mol) 2-(p-chlorophenoxy)isobutyric acid and 56.0 g (0.25 mol) 7-hydroxyethyltheophylline were suspended together in 250 ml xylene. They were heated together for 15 hours in a water separator following the addition of 1.5 g p-toluenesulfonic acid. The solution was next agitated with dilute sodium bicarbonate solution (0.5 mol NaHCO3), water washed and evaporated in a rotary evaporator.
The residue was then crystallized from isopropanol, yielding 58.0 g (55% yield) of 1-(7-theophyllinyl)-2-ethyl[2-(p-chlorophenoxy)-isobutyrate] . The compound had a melting point of 131°C to 132°C.
[Therapeutic Function]

Antihyperlipidemic
[Biochem/physiol Actions]

Pharmacological profile similar to theophylline.
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

7-(2-HYDROXYETHYL)THEOPHYLLINE(519-37-9)MS
7-(2-HYDROXYETHYL)THEOPHYLLINE(519-37-9)1HNMR
7-(2-HYDROXYETHYL)THEOPHYLLINE(519-37-9)13CNMR
7-(2-HYDROXYETHYL)THEOPHYLLINE(519-37-9)IR1
7-(2-HYDROXYETHYL)THEOPHYLLINE(519-37-9)IR2
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

519-37-9(sigmaaldrich)
[TCI AMERICA]

7-(2-Hydroxyethyl)theophylline,>98.0%(LC)(N)(519-37-9)
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