Identification | Back Directory | [Name]
5-Fluoro-2-Methoxybenzyl alcohol | [CAS]
426831-32-5 | [Synonyms]
(5-Fluoro-2-methoxyphenyl) 5-FLUORO-2-METHOXYBENZYL ALCOHOL 5-Fluoro-3-methoxybenzyl alcohol Benzenemethanol, 5-fluoro-2-methoxy- Benzenemethanol, 5-fluoro-2-methoxy- (9CI) | [Molecular Formula]
C8H9FO2 | [MDL Number]
MFCD00671767 | [MOL File]
426831-32-5.mol | [Molecular Weight]
156.15 |
Chemical Properties | Back Directory | [Boiling point ]
242℃ | [density ]
1.187 | [Fp ]
119℃ | [storage temp. ]
Sealed in dry,Room Temperature | [pka]
14.09±0.10(Predicted) | [Appearance]
White to off-white Solid | [InChI]
InChI=1S/C8H9FO2/c1-11-8-3-2-7(9)4-6(8)5-10/h2-4,10H,5H2,1H3 | [InChIKey]
NJDNHGOIOZXFCB-UHFFFAOYSA-N | [SMILES]
C1(CO)=CC(F)=CC=C1OC |
Hazard Information | Back Directory | [Synthesis]
To a methanolic solution of 5-fluoro-2-methoxybenzaldehyde (11.093 g, 1 eq., purchased from Aldrich Chemical Company) was added sodium borohydride (7.515 g, 2.7 eq.) in batches at -10 °C and under nitrogen protection. The reaction solution was slowly warmed to room temperature and stirred for 30 minutes before the methanol solvent was removed by reduced pressure distillation and replaced with dichloromethane. The reaction mixture was poured into ice water and extracted with dichloromethane. The organic phases were combined, dried with magnesium sulfate and concentrated under reduced pressure to remove the solvent to give 5-fluoro-2-methoxybenzyl alcohol as a colorless oil (9.794 g, 87% yield).1H NMR (300 MHz, CDCl3) δ: 2.58 (m, 1H), 3.81 (s, 3H), 4.63 (d, 2H, J=6.3 Hz), 6.78 (dd, 1H J=8.9 and 4.3 Hz), 6.94 (td, 1H, J=8.5 and 3.1 Hz), 7.04 (dd, 1H, J=8.7 and 3.1 Hz). | [References]
[1] Patent: EP1216225, 2005, B1. Location in patent: Page/Page column 39 [2] Patent: WO2004/18441, 2004, A1. Location in patent: Page 22 [3] Patent: WO2005/20975, 2005, A2. Location in patent: Page/Page column 126 [4] Patent: WO2005/20976, 2005, A2. Location in patent: Page/Page column 129 [5] Patent: WO2005/60949, 2005, A2. Location in patent: Page/Page column 132; 277 |
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