Molecular Formula | C11H21NO3 |
Molar Mass | 215.29 |
Density | 1.079±0.06 g/cm3(Predicted) |
Boling Point | 310.6±35.0 °C(Predicted) |
Flash Point | 141.7°C |
Vapor Presure | 5.3E-05mmHg at 25°C |
pKa | 15.06±0.20(Predicted) |
Storage Condition | 2-8°C |
Refractive Index | 1.489 |
Hazard Symbols | T - Toxic |
Risk Codes | 25 - Toxic if swallowed |
Safety Description | 45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) |
UN IDs | UN2811 |
Hazard Class | IRRITANT |
Introduction | 4-hydroxyazepine-heptan-1-carboxylic acid tert-butyl ester is an organic intermediate, which can be made of N-benzylhexahydroazepine-4-ketone hydrochloride as raw material, debenzylation, upper protection to obtain 4-oxoazepine-heptan-1-carboxylic acid tert-butyl ester, then the carbonyl group is reduced to obtain 4-hydroxyazacycloheptan-1-carboxylic acid tert-butyl ester. |
Uses | 4-hydroxyazepine-heptan-1-carboxylic acid tert-butyl ester is a carboxylate organic substance and can be used as a pharmaceutical intermediate. |
preparation | N-benzylhexahydroazepine -4-one hydrochloride (25.0g,104.3mmol), ditert-butyl dicarbonate (25.0g,114.7mmol) and Pearlman catalyst (4.46g,31.3mmol) were applied to EtOAc (550ml) and triethylamine (17.4ml), the mixture in 125.13mmol) is hydrogenated overnight at room temperature in a Parr oscillator. The reaction mixture was filtered through a diatomite short mat, the filter cake was washed with EtOAc , the filtrate was washed with water, then washed with brine, dried (MgSO4) and evaporated to dryness, giving 23.4g 4-oxoheptane-1-carboxylic acid tert-butyl ester. At 0°C, under nitrogen flow, sodium borohydride (0.35g,9.38mmol) was slowly added to a solution of 4-oxoheterocycloheptan-1-carboxylic acid tert-butyl ester in MeOH(20mL). The mixture was stirred at room temperature for 2 hours. Pour the mixture into the water. The organic layer was extracted with EtOAc, washed with brine, dried with MgSO4, filtered and concentrated to produce 4-hydroxyazacycloheptan-1-carboxylate tert-butyl ester. |