| Identification | Back Directory | [Name]
(3-FLUOROBENZYL)METHYLAMINE | [CAS]
90389-84-7 | [Synonyms]
Aids011076
Aids-011076
(3-FLUOROBENZYL)METH
90389-40-5 (Hydrochloride)
(3-FLUOROBENZYL)METHYLAMINE
3-FLUORO-N-METHYLBENZYLAMINE
N-Methyl-3-fluorobenzylamine
(3-Fluorobenzyl)methylamine95%
3-Fluoro-N-methylbenzylamine>
3-Fluoro-N-methylbenzylamine ,97%
3-Fluoro-N-methylbenzylamine
(3-fluorophenyl)-N-methylmethanamine
Benzenemethanamine, 3-fluoro-N-methyl-
1-(3-fluorophenyl)-N-methyl-methanamine | [Molecular Formula]
C8H10FN | [MDL Number]
MFCD04623547 | [MOL File]
90389-84-7.mol | [Molecular Weight]
139.17 |
| Chemical Properties | Back Directory | [Boiling point ]
183-184 °C(lit.)
| [density ]
1.015 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.4990(lit.)
| [Fp ]
152 °F
| [storage temp. ]
Keep in dark place,Inert atmosphere,Room temperature | [form ]
Liquid | [pka]
9.39±0.10(Predicted) | [color ]
Colorless to tan | [InChI]
1S/C8H10FN/c1-10-6-7-3-2-4-8(9)5-7/h2-5,10H,6H2,1H3 | [InChIKey]
ZXWCKKSSCIFVBT-UHFFFAOYSA-N | [SMILES]
CNCc1cccc(F)c1 |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
22-41 | [Safety Statements ]
26-36/39 | [RIDADR ]
UN 2735 8/PG III | [WGK Germany ]
2
| [HazardClass ]
8 | [PackingGroup ]
III | [HS Code ]
29214990 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Acute Tox. 4 Oral
Eye Dam. 1 |
| Hazard Information | Back Directory | [Chemical Properties]
Colorless liquid | [Synthesis]
Step A: Methylamine (15.3 mL, 40% aqueous solution, 177 mmol) was slowly added dropwise to a stirred solution of 3-fluorobenzaldehyde (20.0 g, 161 mmol) in methanol (150 mL) at room temperature. The reaction mixture was cooled to 0 °C after 6 h of continuous stirring at room temperature, followed by batchwise addition of sodium borohydride (6.10 g, 161 mmol). After removal of the cooling bath, the reaction mixture was gradually warmed to room temperature and stirring was continued for 16.5 hours. Upon completion of the reaction, the reaction was quenched with deionized water and carefully acidified with 2N hydrochloric acid. The acidified mixture was extracted with dichloromethane (3 times). The aqueous phase was subsequently alkalized with 6N sodium hydroxide solution and again extracted with dichloromethane (4 times). All organic phase extracts were combined, dried with anhydrous sodium sulfate, filtered and concentrated under reduced pressure to afford the target product N-methyl-3-fluorobenzylamine (21.51 g, 96% yield) as a clarified oil. Its 1H NMR (300 MHz, CDCl3) data were as follows: δ 7.32 (td, J = 7.5, 1.7 Hz, 1H), 7.28-7.19 (m, 1H), 7.14-6.98 (m, 2H), 3.80 (s, 2H), 2.45 (s, 3H), 1.47 (br s, 1H). | [References]
[1] Patent: US2006/111393, 2006, A1. Location in patent: Page/Page column 26-27 |
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