Name | 1-CBZ-piperazine |
Synonyms | 1-Z-PIPERAZINE 1-CBZ-piperazine 1-Cbz-Piperazine LABOTEST-BB LT00138040 1-carbobenzoxypiperazine N-Benzyloxycarbonylpiperazine BENZYL 1-PIPERAZINECARBOXYLATE benzyl 1-piperazinecarboxylate BENZYL PIPERAZINE-1-CARBOXYLATE benzyl piperazine-1-carboxylate 1-(BENZYLOXYCARBONYL)PIPERAZINE |
CAS | 31166-44-6 |
EINECS | 629-513-3 |
InChI | InChI=1/C12H16N2O2/c15-12(14-8-6-13-7-9-14)16-10-11-4-2-1-3-5-11/h1-5,13H,6-10H2 |
Molecular Formula | C12H16N2O2 |
Molar Mass | 220.27 |
Density | 1.142g/mLat 25°C(lit.) |
Boling Point | 158-161°C1.4mm Hg(lit.) |
Flash Point | >230°F |
Solubility | Chloroform (Sparingly), Methanol (Sparingly) |
Vapor Presure | 3.85E-05mmHg at 25°C |
Appearance | Colorless to yellow liquid |
Color | Clear Colourless to Pale Yellow |
BRN | 179500 |
pKa | 8.44±0.10(Predicted) |
Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
Refractive Index | n20/D 1.546(lit.) |
MDL | MFCD00274317 |
Hazard Symbols | Xi - Irritant |
Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
WGK Germany | 3 |
FLUKA BRAND F CODES | 10-23 |
HS Code | 29335990 |
application | benzyl -1-piperazine carbonate is a carboxylate organic substance and can be used as a pharmaceutical intermediate. |
preparation | 30.16g (0.1536 mol) of piperazine hexahydrate, 150 ml of water and 185 ml of tert-butanol are placed in an ice bath , 24.4 ml of 2.5N sodium hydroxide is added dropwise when it is cold to 5 ℃, and then 13.5g (0.061 mol) ditert-butoxic anhydride is added slowly dropwise, keep it at 5-6 ℃ and stir for one hour, stir overnight at room temperature, evaporate to remove tert-butanol under reduced pressure, filter to remove double protected solids (solution point 162-163 ℃) over , the filtrate is extracted with dichloromethane for three times, washed with water, washed with salt, dried with anhydrous magnesium sulfate, filtered by anhydrous sodium sulfate, concentrated under reduced pressure, cooling crystal filtration in ice water to obtain the white solid product piperazine -1-carboxylic acid tert-butyl ester (solution point 47-49 degrees C). Dissolve 10 grams (54 mmol) of piperazine-1 carboxylic acid tert-butyl ester and 8.2 ml of triethylamine in 120 ml of di methyl chloride, cool to 0 ℃, drop 9.2 grams (54 mmol) of benzyloxyformyl chloride and 100 ml of dichloromethane solution, stir at room temperature until the raw materials disappear, concentrate under reduced pressure, add ethyl acetate, wash with water, wash with sodium bicarbonate, wash with salt, dry with anhydrous sodium sulfate, the solvent was spun off and the short column was separated to obtain the product piperazine -1-carboxylic acid tert-butyl ester -4-carboxylic acid benzyl ester. Dissolve 4.14 grams (12.9 mmol) of piperazine -1-carboxylic tert-butyl ester -4-carboxylic acid benzyl ester in 30 ml of dichloromethane, cool to 0 ℃, add 10 ml of trifluoroacetic acid, stir at room temperature until the raw material disappears, concentrate under reduced pressure, add 150 ml of 1N sodium hydroxide to neutralize, extract twice with dichloromethane, dry with anhydrous magnesium sulfate, and spin off the solvent to obtain the product benzyl-1-piperazine carbonate. |