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| | 4-bromo-2-methoxy-1-nitrobenzene Basic information |
| Product Name: | 4-bromo-2-methoxy-1-nitrobenzene | | Synonyms: | 4-bromo-2-methoxy-1-nitrobenzene;5-Bromo-2-nitroanisole;4-Bromo-2-methoxynitrobenzene;3-Methoxy-4-nitrobromobenzene;Benzene, 4-broMo-2-Methoxy-1-nitro-;5-BroMo-2-nitroanisole(4-BroMo-2-Methoxynitrobenzene);5-Bromo-1-methoxy-2-nitrobenzene;5-Bromo-2-nitrophenyl methyl ether | | CAS: | 103966-66-1 | | MF: | C7H6BrNO3 | | MW: | 232.03 | | EINECS: | | | Product Categories: | | | Mol File: | 103966-66-1.mol |  |
| | 4-bromo-2-methoxy-1-nitrobenzene Chemical Properties |
| 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 Codes | Xn | | Risk Statements | 20/21/22-36/37/38 | | Safety Statements | 7/9-22-36/37/39-51 | | WGK Germany | 3 | | HazardClass | IRRITANT | | HS Code | 2909303890 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 4-bromo-2-methoxy-1-nitrobenzene Usage And Synthesis |
| 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 |
| | 4-bromo-2-methoxy-1-nitrobenzene Preparation Products And Raw materials |
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