| Identification | Back Directory | [Name]
Methyl 2-bromo-4-(trifluoromethyl)benzoate | [CAS]
1214334-90-3 | [Synonyms]
Methyl 2-bromo-4-(trifluoromethyl)
2-bromo-4- (trifluoromethyl) benzoate
2-broMo-4-trifluoroMethylMethyl benzoate
Methyl 2-bromo-4-(trifluoromethyl)benzoate
2-Bromo-4-(trifluoromethyl)benzoic acid methyl ester
Benzoic acid, 2-bromo-4-(trifluoromethyl)-, methyl ester | [EINECS(EC#)]
816-454-5 | [Molecular Formula]
C9H6BrF3O2 | [MDL Number]
MFCD14697995 | [MOL File]
1214334-90-3.mol | [Molecular Weight]
283.04 |
| Chemical Properties | Back Directory | [Boiling point ]
248.9±40.0 °C(Predicted) | [density ]
1.598±0.06 g/cm3(Predicted) | [storage temp. ]
2-8°C(protect from light) | [form ]
liquid | [color ]
Colourless to light yellow |
| Hazard Information | Back Directory | [Synthesis]
At room temperature and under nitrogen protection, 2 g (7.434 mmol) of 2-bromo-4-trifluoromethylbenzoic acid (CAS: 328-89-2) was dissolved in 20 ml of DMF. Subsequently, 1.13 g (8.177 mmol) of potassium carbonate and 557 μL (8.921 mmol) of iodomethane were sequentially added to this solution. The reaction mixture was stirred overnight under nitrogen atmosphere. After completion of the reaction, the mixture was poured into 300 ml of water and the aqueous layer was extracted with ethyl acetate (2 x 80 ml). The organic phases were combined, dried with anhydrous sodium sulfate, filtered and concentrated under reduced pressure. The crude product was purified by silica gel column chromatography (eluent: heptane/ethyl acetate, gradient 0 to 10%) to give 1.75 g (83% yield) of methyl 2-bromo-4-trifluoromethylbenzoate as an orange oil. | [References]
[1] Synthesis (Germany), 2012, vol. 44, # 14, p. 2173 - 2180
[2] Patent: US2010/197715, 2010, A1. Location in patent: Page/Page column 28
[3] Patent: US2011/53904, 2011, A1. Location in patent: Page/Page column 15
[4] Patent: WO2011/23667, 2011, A1. Location in patent: Page/Page column 26
[5] Patent: US2011/190349, 2011, A1. Location in patent: Page/Page column 10 |
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