| Identification | Back Directory | [Name]
2-FLUORO-6-METHOXYBENZYLAMINE | [CAS]
150517-75-2 | [Synonyms]
RARECHEM AL BW 0472
2-FLUORO-6-METHOXYBENZYLAMINE
2-Fluoro-6-methoxybenzenemethanamine
(2-Fluoro-6-methoxyphenyl)methylamine
1-(2-fluoro-6-methoxyphenyl)methanamine
Benzenemethanamine, 2-fluoro-6-methoxy-
Benzenemethanamine, 2-fluoro-6-methoxy- (9CI) | [Molecular Formula]
C8H10FNO | [MDL Number]
MFCD00042292 | [MOL File]
150517-75-2.mol | [Molecular Weight]
155.17 |
| Chemical Properties | Back Directory | [Boiling point ]
76-77°C/3.2mm | [density ]
1.127±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Inert atmosphere,2-8°C | [form ]
liquid | [pka]
8.72±0.10(Predicted) | [color ]
clear | [InChI]
InChI=1S/C8H10FNO/c1-11-8-4-2-3-7(9)6(8)5-10/h2-4H,5,10H2,1H3 | [InChIKey]
JCXMQSDLDAJYMF-UHFFFAOYSA-N | [SMILES]
C1(CN)=C(OC)C=CC=C1F |
| Hazard Information | Back Directory | [Synthesis]
General procedure for the synthesis of 2-fluoro-6-methoxybenzylamine from 2-fluoro-6-methoxybenzonitrile: 30 g of Raney nickel catalyst was added to a 1.0 L methanol solution containing 2-fluoro-6-methoxybenzonitrile (228 g, crude) and 145 mL ammonium hydroxide. The reaction mixture was transferred to an autoclave and stirred at 40 °C and 25 atm hydrogen atmosphere for 8 hours. Upon completion of the reaction, the catalyst was removed by filtration and the filtrate was concentrated under reduced pressure to give a light yellow oil. The oily material was further purified by decompression distillation to give 2-fluoro-6-methoxybenzylamine (60 g, 54% yield) as a colorless oil. The product was characterized by 1H NMR (500 MHz, DMSO-d6): δ 1.58 (s, 2H), 3.67 (s, 1H), 6.75 (t, 1H), 6.82 (d, 1H), 7.22 (dd, 1H).LC-MS analysis showed [MH]+ = 156.1. | [References]
[1] Patent: WO2017/221092, 2017, A1. Location in patent: Paragraph 00154
[2] Patent: WO2017/221100, 2017, A1. Location in patent: Paragraph 00149 |
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