Identification | More | [Name]
4-BROMO-2-FLUOROBENZYLAMINE | [CAS]
112734-22-2 | [Synonyms]
2-FLUORO-4-BROMOBENZYL AMINE 4-BROMO-2-FLUOROBENZYLAMINE RARECHEM AL BW 0772 TIMTEC-BB SBB005778 2-Fluoro-4-Bromobenzylamine HCl | [Molecular Formula]
C7H7BrFN | [MDL Number]
MFCD00153076 | [Molecular Weight]
204.04 | [MOL File]
112734-22-2.mol |
Chemical Properties | Back Directory | [Appearance]
Clear colorless to slightly yellow liquid | [Boiling point ]
244.5±25.0 °C(Predicted) | [density ]
1.571±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Inert atmosphere,2-8°C | [form ]
Liquid | [pka]
8.43±0.10(Predicted) | [color ]
Clear colorless to slightly yellow | [Specific Gravity]
1.58 | [InChI]
InChI=1S/C7H7BrFN/c8-6-2-1-5(4-10)7(9)3-6/h1-3H,4,10H2 | [InChIKey]
RLTFBWCBGIZCDQ-UHFFFAOYSA-N | [SMILES]
C1(CN)=CC=C(Br)C=C1F | [CAS DataBase Reference]
112734-22-2(CAS DataBase Reference) |
Safety Data | Back Directory | [Hazard Codes ]
C,Xi | [Risk Statements ]
R34:Causes burns. R21/22:Harmful in contact with skin and if swallowed . | [Safety Statements ]
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [RIDADR ]
2735 | [Hazard Note ]
Irritant | [HazardClass ]
8 | [PackingGroup ]
Ⅲ | [HS Code ]
29214900 |
Hazard Information | Back Directory | [Chemical Properties]
Clear colorless to slightly yellow liquid | [Synthesis]
General procedure for the synthesis of (4-bromo-2-fluorophenyl)methanamine from 4-bromo-2-fluorobenzonitrile: 4-bromo-2-fluorobenzonitrile (5.00 mmol) was dissolved in tetrahydrofuran (THF, 30 mL) and the solution was cooled to 0°C. A solution of borane tetrahydrofuran complex (1 M solution of THF, 15.0 mL) was added slowly and dropwise with stirring. The reaction mixture was continued to be stirred at 0 °C for 20 min, followed by warming to room temperature and stirring for 16 hours. Upon completion of the reaction, methanol (MeOH, 30 mL) was added slowly and dropwise to quench the reaction, followed by concentration of the solution under reduced pressure. The residue was extracted by partitioning with 1 M aqueous sodium hydroxide (NaOH) and ethyl acetate (EtOAc). The organic layer was separated and post-processed to give (4-bromo-2-fluorophenyl)methylamine (5.00 mmol) as a yellow oil.1H NMR (400 MHz, CDCl3) data: δ 7.42-7.27 (m, 1H), 7.25-7.16 (m, 2H), 3.65 (t, J = 6.6 Hz, 2H). | [References]
[1] Journal of Organic Chemistry, 2008, vol. 73, # 5, p. 1898 - 1905 [2] Journal of Organic Chemistry, 2009, vol. 74, # 5, p. 1964 - 1970 [3] Patent: WO2017/103611, 2017, A1. Location in patent: Paragraph 00336 [4] Patent: WO2018/75871, 2018, A1. Location in patent: Page/Page column 62 |
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