Identification | Back Directory | [Name]
2-BROMO-3-FLUOROBENZALDEHYDE | [CAS]
149947-15-9 | [Synonyms]
3-Bromo-2-fluorobenzadehyde 3-BroMo-2-fluorobenzenecarbaldehyde, 95+% | [Molecular Formula]
C7H4BrFO | [MDL Number]
MFCD09027089 | [MOL File]
149947-15-9.mol | [Molecular Weight]
203.02 |
Chemical Properties | Back Directory | [Melting point ]
43-46°C | [Boiling point ]
233.7±20.0 °C(Predicted) | [density ]
1.670±0.06 g/cm3(Predicted) | [Fp ]
>110°(230°F) | [storage temp. ]
Room temperature. | [form ]
Powder | [color ]
Off-white | [Water Solubility ]
Slightly soluble in water. | [Sensitive ]
Light Sensitive | [InChI]
InChI=1S/C7H4BrFO/c8-6-3-1-2-5(4-10)7(6)9/h1-4H | [InChIKey]
OUAZPCKRSSEQKB-UHFFFAOYSA-N | [SMILES]
C(=O)C1=CC=CC(Br)=C1F | [CAS DataBase Reference]
149947-15-9 |
Hazard Information | Back Directory | [Uses]
It can be used as pharmaceutical raw material and intermediate. | [Synthesis]
General procedure for the synthesis of 3-bromo-2-fluorobenzaldehyde from (3-bromo-2-fluorophenyl)methanol: Manganese dioxide (9.32 g, 107.31 mmol) was added to a solution of dichloromethane (50 mL) containing (3-bromo-2-fluorophenyl)methanol (2.750 g, 13.413 mmol). The reaction mixture was stirred at 45°C overnight. Upon completion of the reaction, the mixture was filtered through diatomaceous earth and the filter cake was washed with dichloromethane. The filtrate was collected and concentrated under reduced pressure to give 3-bromo-2-fluorobenzaldehyde as a white solid (2.24 g, 83% yield). The product was characterized by 1H NMR (400 MHz, DMSO-d6): δ10.19 (dt, J=1.3,0.7 Hz, 1H), 8.05 (tdd, J=6.8,3.1,1.5 Hz, 1H), 7.85 (ddt, J=7.9,6.4,1.5 Hz, 1H), 7.37 (tdt, J=7.8,1.6, 1H). 0.8 Hz, 1H). | [References]
[1] Patent: WO2015/52226, 2015, A1. Location in patent: Paragraph 0379 [2] Organic Letters, 2017, vol. 19, # 5, p. 1112 - 1115 [3] Patent: US2008/114167, 2008, A1. Location in patent: Page/Page column 120 |
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