Molecular Formula | C15H11ClN2O2 |
Molar Mass | 286.71 |
Density | 1.40±0.1 g/cm3(Predicted) |
Melting Point | 235-236 °C (decomp) |
Flash Point | 2℃ |
pKa | pKa 4.5 (Uncertain) |
Storage Condition | -20°C |
Refractive Index | 1.682 |
Physical and Chemical Properties |
crystals (dichloromethane/hexane). Melting point 239-241 °c. |
Use | Intermediate of Anning, Shuning (noroxazepam). |
Risk Codes | R11 - Highly Flammable R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R36 - Irritating to the eyes |
Safety Description | S16 - Keep away from sources of ignition. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37 - Wear suitable protective clothing and gloves. |
UN IDs | UN 1648 3 / PGII |
WGK Germany | 3 |
HS Code | 2933996100 |
NIST chemical information | information provided by: webbook.nist.gov (external link) |
biological activity | demoxepa is a major metabolite of Chlordiazepoxide. Demoxepam exhibits cytotoxic activity against cancer cell lines. Demoxepam has anticonvulsant and anti-Anxiety effect. |
Use | an intermediate of Seroquel (noroxazepam). |
production method | cyclization of p-nitrochlorobenzene with benzyl nitrile in ethanol with sodium hydroxide, 5-chloro-3-phenylbenzylisoxazole is produced, and then it is reduced with iron powder-hydrochloric acid and ring-opened to obtain 2-amino-5-chlorobenzophenone, further, 2-amino-5-chlorobenzophenone oxime was obtained by oximation with hydroxylamine hydrochloride. The latter is cyclized with Chloroacetyl Chloride to give 6-chloro-2-chloromethyl-4-phenylquinazoline -3-oxide, which is then expanded under the action of sodium hydroxide to give the product. |