| Identification | More | [Name]
2-Fluorobenzylamine | [CAS]
89-99-6 | [Synonyms]
2-FLUOROBENZYLAMINE
O-FLUOROBENZYLAMINE
RARECHEM AL BW 0009
(2-Fluorophenyl)methanamine
2-fluoro-benzenemethanamin
Benzylamine, o-fluoro-
ortho-Fluorobenzylamine
2-fluoroBenzenemethanamine
2-FLUOROBENZYLAMINE 98% (GC)
2-Fluorobenzylamine,97%
1-Aminomethyl-2-Fluorobenzene
2-Fluorobenzylamine 97%
((2-Fluorophenyl)methyl)amine
Benzenemethanamine, 2-fluoro-
1-(2-fluorophenyl)methanamine | [EINECS(EC#)]
201-957-9 | [Molecular Formula]
C7H8FN | [MDL Number]
MFCD00008107 | [Molecular Weight]
125.14 | [MOL File]
89-99-6.mol |
| Chemical Properties | Back Directory | [Appearance]
clear colorless to yellow liquid | [Melting point ]
245-246 °C(Solv: N,N-dimethylformamide (68-12-2)) | [Boiling point ]
73-75 °C13 mm Hg(lit.)
| [density ]
1.095 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.517(lit.)
| [Fp ]
153 °F
| [storage temp. ]
Keep in dark place,Inert atmosphere,2-8°C | [form ]
Liquid | [pka]
8?+-.0.10(Predicted) | [color ]
Clear colorless to yellow | [Specific Gravity]
1.095 | [Sensitive ]
Air Sensitive | [Detection Methods]
GC,NMR | [BRN ]
508109 | [InChI]
1S/C7H8FN/c8-7-4-2-1-3-6(7)5-9/h1-4H,5,9H2 | [InChIKey]
LRFWYBZWRQWZIM-UHFFFAOYSA-N | [SMILES]
NCc1ccccc1F | [CAS DataBase Reference]
89-99-6(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzenemethanamine, 2-fluoro-(89-99-6) | [EPA Substance Registry System]
Benzenemethanamine, 2-fluoro- (89-99-6) |
| Safety Data | Back Directory | [Hazard Codes ]
C,Xi,T | [Risk Statements ]
R34:Causes burns.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S27:Take off immediately all contaminated clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . | [RIDADR ]
UN 2735 8/PG 2
| [WGK Germany ]
3
| [Hazard Note ]
Irritant | [TSCA ]
Yes | [HazardClass ]
8 | [PackingGroup ]
III | [HS Code ]
29214990 | [Storage Class]
8A - Combustible corrosive hazardous materials | [Hazard Classifications]
Skin Corr. 1B |
| Hazard Information | Back Directory | [Chemical Properties]
clear colorless to yellow liquid | [Uses]
2-Fluorobenzylamine was used in synthesis of 9-(2-fluorobenzyl)-6-(methylamino)-9H-purine, having anticonvulsant activity. It was also used in synthesis and study of structure-activity relationship of a series of substituted spirohydantoins. | [Synthesis]
General procedure for the synthesis of 2-fluorobenzylamine from 2-fluorobenzonitrile: the standard method for the reduction of nitrile by KBH4 and CuCl2 was used. The procedure was as follows: 2-fluorobenzonitrile (0.15 g, 1 mmol), KBH4 (0.17 g, 3 mmol), CuCl2 (0.03 g, 0.25 mmol), and 80% isopropanol solution (1.6 mL of isopropanol and 0.4 mL of water) were added to a 10 mL round-bottom flask. The reaction was carried out at 60 °C and the progress of the reaction was monitored by TLC (unfolding agent ratio of DCM:MeOH 10:1) to confirm that the reaction was completed within 8 hours. Upon completion of the reaction, the mixture was cooled to 25 °C and the solvent was subsequently removed under reduced pressure. Ethyl acetate (5 mL) was added to the residue and washed sequentially with water (1 mL) and saturated saline (1 mL). The organic layer was dried over anhydrous Na2SO4, filtered and concentrated under reduced pressure to give the crude product 2-fluorobenzylamine. | [References]
[1] Journal of the American Chemical Society, 2015, vol. 137, # 28, p. 8888 - 8891
[2] Synlett, 2001, # 10, p. 1623 - 1625
[3] Small, 2018, vol. 14, # 37,
[4] ChemCatChem, 2017, vol. 9, # 4, p. 559 - 563
[5] Asian Journal of Chemistry, 2015, vol. 27, # 10, p. 3564 - 3566 |
|
|