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| | Ethyl 1-Boc-3-pyrrolidinecarboxylate Basic information |
| | Ethyl 1-Boc-3-pyrrolidinecarboxylate Chemical Properties |
| Boiling point | 305.6±35.0 °C(Predicted) | | density | 1.100±0.06 g/cm3(Predicted) | | storage temp. | 2-8°C | | form | solid | | pka | -2.57±0.40(Predicted) | | Appearance | Colorless to light yellow Liquid | | InChI | 1S/C12H21NO4/c1-5-16-10(14)9-6-7-13(8-9)11(15)17-12(2,3)4/h9H,5-8H2,1-4H3 | | InChIKey | PKDQVUYUWUHNMG-UHFFFAOYSA-N | | SMILES | CCOC(=O)C1CCN(C1)C(=O)OC(C)(C)C | | CAS DataBase Reference | 170844-49-2(CAS DataBase Reference) |
| Hazard Codes | Xi,Xn | | Risk Statements | 36/37/38-22 | | Safety Statements | 26-36/37/39 | | WGK Germany | 3 | | HazardClass | IRRITANT | | HS Code | 2933998090 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Oral |
| | Ethyl 1-Boc-3-pyrrolidinecarboxylate Usage And Synthesis |
| Synthesis | A dichloromethane (50 mL) solution of di-tert-butyl dicarbonate (10.30 g, 47.2 mmol) was slowly added dropwise to a dichloromethane (50 mL) solution of crude ethyl 3-pyrrolidinecarboxylate (7.12 g) at 0 °C for a controlled time of 10 min or more. The reaction mixture was gradually warmed up to room temperature over 18 h. The mixture was washed with water and saturated saline, dried over anhydrous sodium sulfate, and concentrated under reduced pressure to afford ethyl N-Boc-3-pyrrolidinecarboxylate (10.4 g, 100% yield), which could be used for the subsequent reaction without further purification.1H NMR (CDCl3) δ: 4.14 (q, 2H), 3.27-3.69 (m , 4H), 3.02 (m, 1H), 2.07-2.16 (m, 2H), 1.46 (s, 9H), 1.27 (t, 3H). | | References | [1] Patent: WO2005/49602, 2005, A1. Location in patent: Page/Page column 89; 90; 130
[2] Patent: WO2005/49605, 2005, A1. Location in patent: Page/Page column 117; 118; 158 |
| | Ethyl 1-Boc-3-pyrrolidinecarboxylate Preparation Products And Raw materials |
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