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| | 4-bromo-2,5-difluorobenzoic acid Basic information |
| Product Name: | 4-bromo-2,5-difluorobenzoic acid | | Synonyms: | 4-bromo-2,5-difluorobenzoic acid;Benzoic acid, 4-broMo-2,5-difluoro-;2,5-Difluoro-4-broMobenzoic acid;4-bromo-2,5-difluorobenzoic acid ISO 9001：2015 REACH;2-Propenoicacid,2-cyano-3-phenyl-,methylester,(5E)- | | CAS: | 28314-82-1 | | MF: | C7H3BrF2O2 | | MW: | 237 | | EINECS: | | | Product Categories: | | | Mol File: | 28314-82-1.mol |  |
| | 4-bromo-2,5-difluorobenzoic acid Chemical Properties |
| Melting point | 161-163° | | Boiling point | 285.0±40.0 °C(Predicted) | | density | 1.872±0.06 g/cm3(Predicted) | | storage temp. | Sealed in dry,Room Temperature | | pka | 2.70±0.10(Predicted) | | form | wooly powder | | color | Creamy peach | | InChI | InChI=1S/C7H3BrF2O2/c8-4-2-5(9)3(7(11)12)1-6(4)10/h1-2H,(H,11,12) | | InChIKey | YWZSTHLOAZTDFJ-UHFFFAOYSA-N | | SMILES | C(O)(=O)C1=CC(F)=C(Br)C=C1F |
| | 4-bromo-2,5-difluorobenzoic acid Usage And Synthesis |
| Uses | 4-Bromo-2,5-difluorobenzoic acid is a synthetic chemical compound that is widely used in scientific research. It is a versatile compound that can be used in many different laboratory experiments. It is also a fluorinated benzoic acid derivative and can be used as a reagent in a variety of organic and inorganic reactions. | | Synthesis | Freshly titrated n-butyl lithium (27.0 ml, 1.39 M in hexanes) is added slowly (over about 30 minutes) to a -78°C solution of diethyl ether (90 ml) containing 1,4-dibromo-2,5-difluorobenzene (10.22 g, 0.038 mol). The resulting yellow solution is stirred at -78°C for 2 hours to give a yellow suspension. Several pellets (~10) of dry ice are added to the suspension, which is then allowed to warm slowly to room temperature as it degasses (approximately 40 minutes). The resulting suspension is acidified with a 1 M aqueous solution of hydrochloric acid (500 ml), and the product extracted with diethyl ether (5 x 200 ml). The combined organics are washed with water (4 x 100 ml) and filtered. The ether solution is concentrated to approximately 200 ml under reduced pressure, and the product extracted into a saturated aqueous solution of sodium bicarbonate (3 x 200 ml). The combined aqueous extracts are washed with methylene chloride (3 x 100 ml) and acidified with hydrochloric acid. The product is extracted with diethyl ether (3 x 200 ml), and the combined organic extracts washed with water (2 x 200 ml), dried over magnesium sulfate, and concentrated under reduced pressure to give 4-Bromo-2,5-difluorobenzoic acid as a pale yellow solid. Figure Synthesis of 4-Bromo-2,5-difluorobenzoic acid | | References | [1] Patent: WO2015/155549, 2015, A1. Location in patent: Page/Page column 105; 106
[2] Patent: WO2017/46603, 2017, A1. Location in patent: Page/Page column 97; 98
[3] Molecular Pharmacology, 2016, vol. 89, # 2, p. 303 - 312
[4] Patent: US2014/200215, 2014, A1. Location in patent: Paragraph 1321; 1322
[5] Bioorganic and Medicinal Chemistry, 2012, vol. 20, # 17, p. 5235 - 5246 |
| | 4-bromo-2,5-difluorobenzoic acid Preparation Products And Raw materials |
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