| Identification | More | [Name]
3-Bromo-4-methoxybenzonitrile | [CAS]
117572-79-9 | [Synonyms]
2-METHOXY-5-(TRIFLUOROMETHYL)BROMOBENZENE
3-BROMO-4-METHOXYBENZONITRILE
3-BROMO-4-METHOXYBENZOTRIFLUORIDE
AKOS B004290
BUTTPARK 87\07-61
3-Bromo-p-anisyl cyanide
2-Bromo-4-(trifluoromethyl)anisole
2-Bromo-4-cyanoanisole | [EINECS(EC#)]
601-486-2 | [Molecular Formula]
C8H6BrNO | [MDL Number]
MFCD03789249 | [Molecular Weight]
212.04 | [MOL File]
117572-79-9.mol |
| Chemical Properties | Back Directory | [Melting point ]
122-124 °C (lit.) | [Boiling point ]
282.8±20.0 °C(Predicted) | [density ]
1.56±0.1 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
Soluble in methanol. | [form ]
powder to crystal | [color ]
White to Light yellow to Light orange | [BRN ]
3246576 | [CAS DataBase Reference]
117572-79-9(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [RIDADR ]
3439 | [WGK Germany ]
3
| [Hazard Note ]
Harmful/Irritant | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29269090 |
| Hazard Information | Back Directory | [Chemical Properties]
Off-white powder | [Uses]
3-Bromo-4-methoxybenzonitrile is used to prepare 3-bromo-2-iodo-4-methoxy-benzonitrile. It is also used as pharmaceutical intermediates. | [Synthesis]
The reaction was carried out with 3-bromo-4-hydroxybenzonitrile (5.0 g, 25.3 mmol), potassium carbonate (7.0 g, 50.1 mmol) and iodomethane (3.9 g, 27.8 mmol) in acetonitrile (20 mL) with stirring for 6 h at 25 °C. The reaction was carried out by thin layer chromatography (TLC). The progress of the reaction was monitored by thin layer chromatography (TLC) and after confirming the completion of the reaction, the reaction mixture was subjected to liquid-liquid separation between ethyl acetate (100 mL) and water (30 mL). The organic phase was collected, washed with brine (20 mL), dried over anhydrous sodium sulfate and concentrated under reduced pressure to obtain the crude product. The crude product was purified by fast column chromatography on silica gel to afford 3-bromo-4-methoxybenzenecarbonitrile (4.8 g, 22.6 mmol) in 89% yield using a hexane solution of 30% ethyl acetate as eluent. | [References]
[1] Patent: WO2017/11590, 2017, A1. Location in patent: Paragraph 00409
[2] Patent: US2005/153877, 2005, A1. Location in patent: Page/Page column 122 |
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