3,3-DIFLUOROPYRROLIDINE HYDROCHLORIDE CAS 163457-23-6
Introduction：Basic information about 3,3-DIFLUOROPYRROLIDINE HYDROCHLORIDE CAS 163457-23-6, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
3,3-DIFLUOROPYRROLIDINE HYDROCHLORIDE Basic information
| Product Name: | 3,3-DIFLUOROPYRROLIDINE HYDROCHLORIDE |
| Synonyms: | 3,3- |
| CAS: | 163457-23-6 |
| MF: | C4H7F2N.ClH |
| MW: | 143.56 |
| EINECS: | 626-850-8 |
| Product Categories: | Fluorinated Building Blocks;Halogenated Heterocycles;Building Blocks;Heterocyclic Building Blocks;Heterocyclic Fluorinated Building Blocks;Other Fluorinated Heterocycles;pharmacetical;Building Blocks;Halogenated Heterocycles;Heterocyclic Building Blocks;Heterocycles;Miscellaneous Reagents;C4 to C10;Chemical Synthesis;Pyrrolidines;PyrrolidinesHeterocyclic Building Blocks;1 |
| Mol File: | 163457-23-6.mol |
3,3-DIFLUOROPYRROLIDINE HYDROCHLORIDE Chemical Properties
| Melting point | 128-130°C |
| storage temp. | Inert atmosphere,Room Temperature |
| form | solid |
| color | White to off white |
| Sensitive | Hygroscopic |
| InChI | InChI=1S/C4H7F2N.ClH/c5-4(6)1-2-7-3-4;/h7H,1-3H2;1H |
| InChIKey | YYVPZQADFREIFR-UHFFFAOYSA-N |
| SMILES | N1CCC(F)(F)C1.[H]Cl |
| CAS DataBase Reference | 163457-23-6(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36/37/39 |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| HazardClass | IRRITANT, HYGROSCOPIC |
| HS Code | 29339900 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
| Chemical Properties | Beige solid |
| Uses | 3,3-Difluoropyrrolidine hydrochloride can be used as a building block in the synthesis of:
It can be also used as a reactant in the preparation of cyclic and acyclic β-aminofluoroalkenes via allylic amination using the Pd catalyst. |
| Synthesis | 195447-25-7 163457-23-6 Part C: 1,1-dimethylethyl 3,3-difluoropyrrolidine-1-carboxylate (0.868 g, 4.19 mmol) was dissolved in 1.5 mL of 1,4-dioxane and cooled to 0°C. A 1,4-dioxane solution (11 mL, 44 mmol) of 4 M hydrogen chloride was slowly added with stirring. The reaction mixture was continued to be stirred at 0°C for 40 minutes, then brought to room temperature and stirred for 1 hour. Upon completion of the reaction, the solvent was removed by concentration under reduced pressure to afford 0.65 g of 3,3-difluoropyrrolidine hydrochloride (100% yield). The product was characterized by 1H-NMR (CD3OD): δ 3.54 (2H, t, J = 11.9 Hz), 3.43 (2H, t, J = 7.8 Hz), 2.40 (2H, m). |
| References | [1] Patent: US2004/186134, 2004, A1. Location in patent: Page 241 [2] Patent: US2018/237472, 2018, A1. Location in patent: Paragraph 0170; 0171 [3] Patent: WO2017/17630, 2017, A1. Location in patent: Page/Page column 57 |
3,3-DIFLUOROPYRROLIDINE HYDROCHLORIDE Preparation Products And Raw materials
| Raw materials | 1-BOC-3,3-DIFLUOROPYRROLIDINE-->Hydrochloric acid-->1,4-Dioxane |
| Preparation Products | tert-Butyl 4-(3,3-difluoropyrrolidin-1-yl)piperidine-1-carboxylate |
