4-(2-HYDROXY-PROPYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER manufacturers
|
| | 4-(2-HYDROXY-PROPYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER Basic information |
| Product Name: | 4-(2-HYDROXY-PROPYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER | | Synonyms: | tert-Butyl 4-(2-hydroxypropyl)piperazine-1-carboxylate;1-Boc-4-(3-hydroxypropyl)piperazine;4-(2-HYDROXYPROPYL)-1-PIPERAZINECARBOXYLIC ACID, 1,1-DIMETHYLETHYL ESTER;1-Piperazinecarboxylic acid, 4-(3-hydroxypropyl)-, 1,1-dimethylethyl ester;1-Boc-4-(3-hydroxypropyl)piperazine,97%;1,1-Dimethylethyl 4-(3-hydroxypropyl)-1-piperazinecarboxylate;tert-Butyl 4-(3-hydroxy-propyl)-1-piperazinecarboxylate | | CAS: | 132710-90-8 | | MF: | C12H24N2O3 | | MW: | 244.33 | | EINECS: | | | Product Categories: | API intermediates | | Mol File: | 132710-90-8.mol |  |
| | 4-(2-HYDROXY-PROPYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER Chemical Properties |
| Melting point | 73-77 °C (lit.) | | Boiling point | 355.8±37.0 °C(Predicted) | | density | 1.074±0.06 g/cm3(Predicted) | | storage temp. | 2-8°C | | pka | 15.10±0.10(Predicted) | | form | Solid | | Appearance | White to off-white Solid | | InChI | 1S/C12H24N2O3/c1-12(2,3)17-11(16)14-8-6-13(7-9-14)5-4-10-15/h15H,4-10H2,1-3H3 | | InChIKey | LRYRQGKGCIUVON-UHFFFAOYSA-N | | SMILES | CC(C)(C)OC(=O)N1CCN(CCCO)CC1 | | CAS DataBase Reference | 132710-90-8 |
| Hazard Codes | T | | Risk Statements | 25-36/37/38 | | Safety Statements | 26-36/37/39-45 | | RIDADR | UN 2811 6.1/PG 3 | | WGK Germany | 3 | | HazardClass | 6.1 | | HS Code | 2924297099 | | Storage Class | 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | | Hazard Classifications | Acute Tox. 3 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 4-(2-HYDROXY-PROPYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER Usage And Synthesis |
| Synthesis | GENERAL STEPS: 3-(Piperazin-1-yl)propan-1-ol (1.44 g, 10 mmol), di-tert-butyl dicarbonate (3.3 g, 15 mmol), and N,N-diisopropylethylamine (1.80 g, 15 mmol) were dissolved in dichloromethane (100 mL) and stirred at room temperature until the reaction was complete. After the reaction was complete, the reaction mixture was diluted with dichloromethane (200 mL). The organic layer was washed with saturated saline, dried over anhydrous sodium sulfate, filtered and concentrated. The residue was purified by column chromatography (eluent: dichloromethane/methanol = 20:1) to afford tert-butyl 4-(3-hydroxypropyl)piperazine-1-carboxylate as a colorless oil (2.4 g, 97% yield). | | References | [1] Patent: WO2015/120049, 2015, A1. Location in patent: Page/Page column 137
[2] Patent: WO2016/191172, 2016, A1. Location in patent: Page/Page column 83
[3] Journal of Medicinal Chemistry, 2017, vol. 60, # 15, p. 6516 - 6527
[4] Patent: WO2009/10491, 2009, A1. Location in patent: Page/Page column 56
[5] Patent: US2009/99172, 2009, A1. Location in patent: Page/Page column 29 |
| | 4-(2-HYDROXY-PROPYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER Preparation Products And Raw materials |
|