| Identification | Back Directory | [Name]
4-bromo-2-methoxy-1-nitrobenzene | [CAS]
103966-66-1 | [Synonyms]
5-Bromo-2-nitroanisoL
5-Bromo-2-nitroanisole
2-Nitro-5-bromoanisole
5-bromo-2-nitroailsole
4-Bromo-2-methoxynitrobenzene
3-Methoxy-4-nitrobromobenzene
5-Bromo-1-methoxy-2-nitrobenzene
4-bromo-2-methoxy-1-nitrobenzene
5-Bromo-2-nitrophenyl methyl ether
Benzene, 4-broMo-2-Methoxy-1-nitro-
5-BroMo-2-nitroanisole(4-BroMo-2-Methoxynitrobenzene)
4-Bromo-2-methoxynitrobenzene, 5-Bromo-2-nitrophenyl methyl ether | [Molecular Formula]
C7H6BrNO3 | [MDL Number]
MFCD09966092 | [MOL File]
103966-66-1.mol | [Molecular Weight]
232.04 |
| Chemical Properties | Back Directory | [Melting point ]
91-92℃ | [Boiling point ]
298.7±20.0 °C(Predicted) | [density ]
1.640 | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
solid | [Appearance]
Off-white to yellow Solid | [InChI]
InChI=1S/C7H6BrNO3/c1-12-7-4-5(8)2-3-6(7)9(10)11/h2-4H,1H3 | [InChIKey]
DJKPQYBFSAJUBS-UHFFFAOYSA-N | [SMILES]
C1([N+]([O-])=O)=CC=C(Br)C=C1OC |
| Hazard Information | Back Directory | [Uses]
4-Bromo-2-methoxy-1-nitrobenzene (4BMN) is a nucleophile that can be used to optimize the safety profiles of drugs. | [Synthesis]
GENERAL STEPS: To a solution of 4-bromo-2-fluoro-1-nitrobenzene (2.0 g, 9.09 mmol) in methanol (50 mL) was added a methanolic solution of 30% sodium methanolate (1.64 g, 9.09 mmol). The reaction mixture was stirred at room temperature overnight. After completion of the reaction, the reaction mixture was concentrated and the residue was dissolved in water (30 mL) and extracted with ethyl acetate (2 x 30 mL). The organic phases were combined, washed with water, separated, dried over anhydrous magnesium sulfate, filtered, and the solvent was evaporated under reduced pressure to give 5-bromo-2-nitroanisole as a crystalline solid (2.1 g, 99% yield).1H-NMR (DMSO-d6): δ [ppm] 7.9 (d, 1H), 7.6 (s, 1H), 7.3 (d, 1H), 4.0 (s, 3H). | [References]
[1] Patent: WO2006/40182, 2006, A1. Location in patent: Page/Page column 168
[2] Patent: CN106187838, 2016, A. Location in patent: Paragraph 0309; 0310; 0311
[3] Patent: US2012/277220, 2012, A1. Location in patent: Page/Page column 17
[4] PLoS ONE, 2017, vol. 12, # 8,
[5] Patent: US2017/8889, 2017, A1. Location in patent: Paragraph 0207; 0208 |
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