| Identification | More | [Name]
2-Bromo-5-(trifluoromethyl)benzaldehyde | [CAS]
102684-91-3 | [Synonyms]
2-Bromo-5-(trifluoromethyl)benzaldehyde | [Molecular Formula]
C8H4BrF3O | [MDL Number]
MFCD04973760 | [Molecular Weight]
253.02 | [MOL File]
102684-91-3.mol |
| Chemical Properties | Back Directory | [Boiling point ]
239.1±35.0 °C(Predicted) | [density ]
1.677±0.06 g/cm3(Predicted) | [refractive index ]
1.511 | [storage temp. ]
under inert gas (nitrogen or Argon) at 2-8°C | [form ]
clear liquid | [color ]
Colorless to Light yellow to Light orange | [Sensitive ]
Air Sensitive | [InChI]
InChI=1S/C8H4BrF3O/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-4H | [InChIKey]
CSOBJYGHQOLWOD-UHFFFAOYSA-N | [SMILES]
C(=O)C1=CC(C(F)(F)F)=CC=C1Br | [CAS DataBase Reference]
102684-91-3(CAS DataBase Reference) |
| Hazard Information | Back Directory | [Chemical Properties]
Pale yellow liquid | [Synthesis]
To a solution of the 2-bromo-5-trifluoromethyl-benzonitrile (2.6 g, 10.4 mmol) in toluene (20 mL) at -78° C. was added diisobutylaluminium hydride (21 mL, 21 mmol, 1.0 M in toluene) cooled to -78° C. by cannula. The solution was stirred at -78 to -50° C. for 2 hours. Water (5 mL) was added slowly to the reaction and the reaction was allowed to warm up to room temperature. The mixture was adjusted to pH 10 with NaOH. The product was extracted with dichloromethane, washed with saturated sodium bicarbonate and brine, dried over sodium sulfate and concentrated. The residue was purified by flash chromatography (hexanes/ether 90:10) to give 2-Bromo-5-(trifluoromethyl)benzaldehyde (2.0 g, 76 %) as a dark solid.
| [References]
[1] Journal of Medicinal Chemistry, 1986, vol. 29, # 8, p. 1442 - 1452
[2] Patent: US2007/21408, 2007, A1. Location in patent: Page/Page column 130-131
[3] ACS Medicinal Chemistry Letters, 2010, vol. 1, # 9, p. 483 - 487
[4] Patent: US2005/261310, 2005, A1. Location in patent: Page/Page column 24 |
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