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| | Methyl 4-bromo-2,6-difluorobenzoate Basic information |
| Product Name: | Methyl 4-bromo-2,6-difluorobenzoate | | Synonyms: | 4-Bromo-2,6-difluorbenzoesaure-methylester;4-BroM-2,6-difluorbenzonic acid Methyl ester;Benzoic acid, 4-broMo-2,6-difluoro-, Methyl ester;4-bromo-2,6-difluorobenzoate;4-Bromo-2,6-difluorobenzoate methyl ester;Methyl 4-bromo-2;Methyl 4-bromo-2,6-difluorobenzene;CAS:773134-11-5 | | CAS: | 773134-11-5 | | MF: | C8H5BrF2O2 | | MW: | 251.02 | | EINECS: | | | Product Categories: | Fluorine series | | Mol File: | 773134-11-5.mol |  |
| | Methyl 4-bromo-2,6-difluorobenzoate Chemical Properties |
| Melting point | 41-43℃ | | Boiling point | 276.1±40.0 °C(Predicted) | | density | 1.652±0.06 g/cm3(Predicted) | | storage temp. | Sealed in dry,Room Temperature | | Appearance | White to light brown Solid | | InChI | InChI=1S/C8H5BrF2O2/c1-13-8(12)7-5(10)2-4(9)3-6(7)11/h2-3H,1H3 | | InChIKey | JBXJLZRTTCGLNR-UHFFFAOYSA-N | | SMILES | C(OC)(=O)C1=C(F)C=C(Br)C=C1F |
| HazardClass | IRRITANT | | HS Code | 2916399090 |
| | Methyl 4-bromo-2,6-difluorobenzoate Usage And Synthesis |
| Chemical Properties | Off-white powder | | Uses | Methyl 4-bromo-2,6-difluorobenzoate is a pharmaceutical intermediate compound used in the preparation of contraceptive compositions. | | Synthesis | (a) Synthesis of methyl 4-bromo-2,6-difluorobenzoate. At room temperature, (trimethylmethylsilyl) diazomethane (2.0 M ether solution, 15.0 mL, 30.0 mmol) was slowly added dropwise through a charging funnel to a mixture of dichloromethane (32.0 mL) and methanol (8.0 mL) of 4-bromo-2,6-difluorobenzoic acid (5.0 g, 21.10 mmol). The reaction mixture was stirred for 15 min and then concentrated under reduced pressure to afford methyl 4-bromo-2,6-difluorobenzoate (5.30 g, 21.11 mmol, 100% yield) as a clarified light orange oil. The product was characterized by 1H NMR (400 MHz, chloroform-d): δ 7.17 (dd, J = 8.8, 1.5 Hz, 2H), 3.95 (s, 3H). Mass spectrometry (ES+) analysis showed m/e 251/253 [M + H]+. | | References | [1] Patent: US2010/305133, 2010, A1. Location in patent: Page/Page column 34
[2] Patent: US9242996, 2016, B2. Location in patent: Page/Page column 211; 212 |
| | Methyl 4-bromo-2,6-difluorobenzoate Preparation Products And Raw materials |
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