| Identification | Back Directory | [Name]
METHYL 2-BROMO-4-FLUOROBENZOATE | [CAS]
653-92-9 | [Synonyms]
RARECHEM AL BF 1088
Bromo-4-fluorobenzoate
2-bromo-4-fluorobenzoate
Methyl 4-fluoro-2-bromobenzoate
METHYL 2-BROMO-4-FLUOROBENZOATE
2-bromo-4-fluoro-3-methylbenzoate
Methyl2-bromo-4-fluorobenzoate98%
Methyl 2-bromo-4-fluorobenzoate 98%
5-fluoro-2-(methoxycarbonyl)bromobenzene
methyl 2-bromo-4-fluorobenzenecarboxylate
2-Bromo-4-fluorolbenzoicacid methyl ester
Benzoic acid, 2-broMo-4-fluoro-, Methyl ester | [Molecular Formula]
C8H6BrFO2 | [MDL Number]
MFCD06204026 | [MOL File]
653-92-9.mol | [Molecular Weight]
233.03 |
| Chemical Properties | Back Directory | [Boiling point ]
75-78/1mm | [density ]
1.577 | [Fp ]
100℃ | [storage temp. ]
Sealed in dry,Room Temperature | [Appearance]
Colorless to light yellow Liquid | [InChI]
InChI=1S/C8H6BrFO2/c1-12-8(11)6-3-2-5(10)4-7(6)9/h2-4H,1H3 | [InChIKey]
JENBPOJAZCPSEW-UHFFFAOYSA-N | [SMILES]
C(OC)(=O)C1=CC=C(F)C=C1Br |
| Hazard Information | Back Directory | [Chemical Properties]
off-white powder | [Synthesis]
DBU (1.7 equiv, 1.16 mL, 7.76 mmol) was added to a solution of 2-bromo-4-fluorobenzoicacid (1.0equiv, 1.0 g, 4.57 mmol) and iodomethane (2.0 equiv, 0.57 mL, 9.14 mmol) in CH3CN(11 mL) at 23 °C. After stirring for 48 h, the reaction was quenched with H2O(10 mL) and extracted with Et2O (2 x 10 mL). The combined organic extracts were washed with water (20 mL) and brine (20 mL), dried over Na2SO4 and filtrated. Evaporation of the solvent under reduced pressure followed by flash chromatography (SiO2, 95/5 hexane/EtOAc) afforded 1.0 g (98%)of Methyl 2-bromo-4-fluorobenzoate as a colourless oil. | [References]
[1] Bioorganic and Medicinal Chemistry Letters, 2015, vol. 25, # 20, p. 4393 - 4398
[2] Patent: US6407250, 2002, B1
[3] Patent: US6511999, 2003, B2
[4] Patent: US2002/128233, 2002, A1
[5] Patent: US2004/162323, 2004, A1 |
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