| Identification | Back Directory | [Name]
Methyl 4-bromo-2,6-difluorobenzoate | [CAS]
773134-11-5 | [Synonyms]
Methyl 4-bromo-2
4-bromo-2,6-difluorobenzoate
4-Bromo-2,6-difluorobenzoate methyl ester
4-Bromo-2,6-difluorbenzoesaure-methylester
4-BroM-2,6-difluorbenzonic acid Methyl ester
Benzoic acid, 4-broMo-2,6-difluoro-, Methyl ester | [Molecular Formula]
C8H5BrF2O2 | [MDL Number]
MFCD06204169 | [MOL File]
773134-11-5.mol | [Molecular Weight]
251.02 |
| Chemical Properties | Back Directory | [Melting point ]
41-43℃ | [Boiling point ]
276.1±40.0 °C(Predicted) | [density ]
1.652±0.06 g/cm3(Predicted) | [storage temp. ]
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 |
| Hazard Information | Back Directory | [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 |
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