| Identification | Back Directory | [Name]
3,3-Difluorocyclopentanamine hydrochloride, 98% | [CAS]
939398-48-8 | [Synonyms]
3,3-difluorocyclopentan-1-aMine
3,3-difluorocyclopentanaMine HCl
3,3-difluorocyclopentan-1-amine hydrochloride
1. 3,3-Difluorocyclopentanamine hydrochloride
3,3-Difluorocyclopentanamine hydrochloride - D7892 | [Molecular Formula]
C5H10ClF2N | [MDL Number]
MFCD15526665 | [MOL File]
939398-48-8.mol | [Molecular Weight]
157.59 |
| Chemical Properties | Back Directory | [storage temp. ]
Inert atmosphere,2-8°C | [Appearance]
White to off-white Solid | [InChI]
InChI=1S/C5H9F2N.ClH/c6-5(7)2-1-4(8)3-5;/h4H,1-3,8H2;1H | [InChIKey]
IIUHMNFTPGBLCX-UHFFFAOYSA-N | [SMILES]
FC1(CCC(N)C1)F.Cl |
| Hazard Information | Back Directory | [Synthesis]
Benzyl 3N-difluorocyclopentylcarbamate (1.5 g, 5.88 mmol) was used as a raw material, which was dissolved in 6N HCl (6 mL) and the reaction was heated at 100 °C for 20 hours. After completion of the reaction, the mixture was cooled to room temperature and the brown solution was extracted with ether (2 x 2 mL) to remove unreacted feedstock and toluene. The aqueous phase was dried over vacuum heat to afford 3,3-difluorocyclopentylamine hydrochloride as a light brown solid (0.79 g, 85% yield). The structure of the product was confirmed by the following characterization data: 1H NMR (MeOD-d4, 400 MHz) δ: 4.79 (m, 1H), 2.62 (m, 1H), 2.32 (m, 2H), 2.18 (m, 2H), 1.87 (m, 1H); 13C NMR (MeOD-d4, 400 MHz) δ: 131.4 (t), 41.0 (t), 34.8 (t), 28.9; 19F NMR (MeOD-d4, standard CFCl3, 400 MHz) δ: -93.0 (m, 2F).LC/MS analysis showed the [M + H]+ peak was located at 121.9. | [References]
[1] Patent: WO2013/107405, 2013, A1. Location in patent: Page/Page column 45
[2] Patent: US2015/87600, 2015, A1. Location in patent: Page/Page column
[3] Patent: US2007/161685, 2007, A1. Location in patent: Page/Page column 118-119 |
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