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| | 3,3-DIFLUOROPYRROLIDINE HYDROCHLORIDE Basic information |
| Product Name: | 3,3-DIFLUOROPYRROLIDINE HYDROCHLORIDE | | Synonyms: | 3,3-Difluoropyrrolidine hydrochloride;3,3-Difluoropyrrolidine hydrochloride 97%;GOSO-005;cis-1-Methyl-2-oxo-1,2-dihydro-quinoline-5-carboxylic acid;3,3-DIFLUOROPYRROLIDINE HCL;3,3-DIFLUOROPYRROLIDINE HYDROCHLORIDE;Pyrrolidine, 3,3-difluoro-, hydrochloride (1:1);1-Aza-3,3-difluorocyclopentane | | CAS: | 163457-23-6 | | MF: | C4H7F2N.ClH | | MW: | 143.56 | | EINECS: | 626-850-8 | | Product Categories: | Fluorinated Building Blocks;Halogenated Heterocycles;Heterocyclic Building Blocks;Heterocyclic Fluorinated Building Blocks;Other Fluorinated Heterocycles;Building Blocks;C4 to C10;Chemical Synthesis;Heterocycles;Miscellaneous Reagents;pharmacetical;Building Blocks;Halogenated Heterocycles;Heterocyclic Building Blocks;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) |
| 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 |
| Provider | Language |
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ALFA
| English |
| | 3,3-DIFLUOROPYRROLIDINE HYDROCHLORIDE Usage And Synthesis |
| Chemical Properties | Beige solid | | Uses | 3,3-Difluoropyrrolidine hydrochloride can be used as a building block in the synthesis of:
- Triazole substituted prolyl difluoropyrrolidines as potential inhibitors of dipeptidyl peptidase-4.
- Dual leucine zipper kinase (DLK) inhibitors.
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 | 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 |
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