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| | Methyl 2-bromo-4-fluorobenzoate Basic information |
| Product Name: | Methyl 2-bromo-4-fluorobenzoate | | Synonyms: | METHYL 2-BROMO-4-FLUOROBENZOATE;Methyl 2-bromo-4-fluorobenzoate 98%;Methyl2-bromo-4-fluorobenzoate98%;RARECHEM AL BF 1088;methyl 2-bromo-4-fluorobenzenecarboxylate;Methyl 4-fluoro-2-bromobenzoate;5-fluoro-2-(methoxycarbonyl)bromobenzene;Benzoic acid, 2-broMo-4-fluoro-, Methyl ester | | CAS: | 653-92-9 | | MF: | C8H6BrFO2 | | MW: | 233.03 | | EINECS: | | | Product Categories: | blocks;Bromides;Carboxes;FluoroCompounds | | Mol File: | 653-92-9.mol |  |
| | Methyl 2-bromo-4-fluorobenzoate Chemical Properties |
| 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 Codes | Xi,Xn | | Risk Statements | 22 | | HazardClass | IRRITANT | | HS Code | 2916399090 |
| | Methyl 2-bromo-4-fluorobenzoate Usage And Synthesis |
| 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 |
| | Methyl 2-bromo-4-fluorobenzoate Preparation Products And Raw materials |
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