| Identification | Back Directory | [Name]
Etifoxine | [CAS]
21715-46-8 | [Synonyms]
36-801
Etifoxin
HOE-36801
Etifoxine
HOE-36-801
etafenoxine
2-Ethylamino-6-chloro-4-methyl-4-phenyl-4H-3,1-benzoxazine
6-Chloro-2-ethylamino-4-methyl-4-phenyl-4H-3,1-benzoxazine
4H-3,1-Benzoxazin-2-amine, 6-chloro-N-ethyl-4-methyl-4-phenyl- | [EINECS(EC#)]
630-330-6 | [Molecular Formula]
C17H17ClN2O | [MDL Number]
MFCD00868190 | [MOL File]
21715-46-8.mol | [Molecular Weight]
300.78 |
| Chemical Properties | Back Directory | [Melting point ]
90-92℃ | [Boiling point ]
421.2±55.0 °C(Predicted) | [density ]
1.1716 (rough estimate) | [vapor pressure ]
0-1Pa at 20-25℃ | [refractive index ]
1.5800 (estimate) | [storage temp. ]
Store at -20°C | [solubility ]
DMSO:60.0(Max Conc. mg/mL);199.47(Max Conc. mM)
DMF:30.0(Max Conc. mg/mL);99.74(Max Conc. mM)
DMF:PBS (pH 7.2) (1:8):0.1(Max Conc. mg/mL);0.33(Max Conc. mM)
Ethanol:20.0(Max Conc. mg/mL);66.49(Max Conc. mM) | [form ]
Solid:particulate/powder | [pka]
4.89±0.40(Predicted) | [color ]
Light yellow to yellow | [LogP]
4.09-4.52 at 21-25℃ and pH7 |
| Hazard Information | Back Directory | [Originator]
Circupon,Troponwerke,W. Germany | [Definition]
ChEBI: Etifoxine is a benzoxazine. | [Manufacturing Process]
30 parts of 1-(3'-hydroxyphenyl)-2-(N-benzylaminomethyl)-ethan-1-one are
mixed with 100 parts of pyridine and 30 parts of pivalic anhydride and
dissolved while warming. After heating for 1 hour under reflux, the acylation
is complete. After concentrating the reaction solution, the product is
precipitated from acetone/ether. Yield: 96.4% of 1-(3'-pivaloyloxyphenyl)-2-
(N-benzylaminomethyl)-ethan-1-one.
3 parts of palladium/charcoal (10% strength) are prehydrogenated in water,
thereafter 10 parts of 1-(3'-pivaloyloxyphenyl)-2-(N-benzylaminoethyl)-ethan-
1-one, dissolved in a 10-fold amount of water, are added dropwise at room
temperature and hydrogenation is carried out until 1 mol of hydrogen has
been taken up. After filtering off the catalyst, a further 3 parts of
palladium/charcoal are added and hydrogenation is carried out until a further
mol of hydrogen has been taken up. The catalyst is separated off and after
removal of the solvent the hydrogenation product is reprecipitated from
acetone/petroleum ether and from methanol/ether until it is pure according to
thin layer chromatography. Yield: 38.8% of 1-(3'-pivaloyloxyphenyl)-2-
ethylaminoethanol-1 hydroxide, melting point 208°C to 209°C. | [Therapeutic Function]
Tranquilizer |
|
| Company Name: |
Musechem
|
| Tel: |
+1-800-259-7612 |
| Website: |
www.musechem.com |
|