ChemicalBook CAS DataBase List 519-37-9

519-37-9

Name	7-(2-HYDROXYETHYL)THEOPHYLLINE
CAS	519-37-9
EINECS(EC#)	208-269-8
Molecular Formula	C9H12N4O3
MDL Number	MFCD00055055
Molecular Weight	224.22
MOL File	519-37-9.mol

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

Chemical Properties

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
InChI	1S/C9H12N4O3/c1-11-7-6(8(15)12(2)9(11)16)13(3-4-14)5-10-7/h5,14H,3-4H2,1-2H3
InChIKey	NWPRCRWQMGIBOT-UHFFFAOYSA-N
SMILES	CN1C(=O)N(C)c2ncn(CCO)c2C1=O
CAS DataBase Reference	519-37-9(CAS DataBase Reference)

Safety Data

Hazard Codes	Xn,Xi
Risk Statements	R22:Harmful if swallowed. R36/37/38:Irritating to eyes, respiratory system and skin . less more
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 . less more
WGK Germany	3
RTECS	XH5850000
HS Code	2939590000
Storage Class	11 - Combustible Solids
Hazard Classifications	Acute Tox. 4 Oral

Hazard Information

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 Detail

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