| Identification | Back Directory | [Name]
Benzeneethanamine, 3,4-difluoro- (9CI) | [CAS]
220362-31-2 | [Synonyms]
3,4-Difluoro-benzeneethanaMine
BenzeneethanaMine, 3,4-difluoro-
2-(3,4-Difluorophenyl)ethanamine
2-(3,4-Difluorophenyl)ethylamine
Benzeneethanamine, 3,4-difluoro- (9CI)
BENZENEETHANAMINE,3,4-DIFLUORO- (CAS NO.220362-31-2) | [Molecular Formula]
C8H9F2N | [MDL Number]
MFCD01529877 | [MOL File]
220362-31-2.mol | [Molecular Weight]
157.16 |
| Chemical Properties | Back Directory | [Boiling point ]
203℃ | [density ]
1.169 | [Fp ]
91℃ | [storage temp. ]
2-8°C(protect from light) | [solubility ]
Acetonitrile (Slightly), Chloroform (Slightly) | [form ]
Oil | [pka]
9.25±0.10(Predicted) | [color ]
Colourless |
| Hazard Information | Back Directory | [Synthesis]
Synthesis of intermediate 2-(3,4-difluorophenyl)ethylamine (I-49b): the preparation and post-treatment steps were carried out with reference to the preparation of intermediate I-15b. The specific operation was as follows: E-1,2-difluoro-4-(2-nitrovinyl)benzene (I-49a, 5 g, 27.027 mmol) was dissolved in anhydrous THF (81 mL), and LiBH4 (2.35 g, 108.1081 mmol) and chlorotrimethylsilane (27.63 mL, 216.216 mmol) were added sequentially at 0 °C. The reaction mixture was stirred at room temperature for 3 days. Upon completion of the reaction, 4.2 g of the target product was obtained by post-processing in 100% yield. The product was characterized by 1H NMR (DMSO, 300 MHz): δ 8.7 (broad peak, 2H), 7.5-7.3 (multiple peaks, 2H), 7.2-7.0 (multiple peaks, 1H), 3.0-2.8 (multiple peaks, 4H).LCMS analysis showed a purity of 98.87%, m/z = 158.1 (M + 1). | [References]
[1] Patent: US2014/45872, 2014, A1. Location in patent: Paragraph 0814
[2] Patent: WO2008/39882, 2008, A1. Location in patent: Page/Page column 191
[3] Patent: WO2008/39882, 2008, A1. Location in patent: Page/Page column 191 |
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