| Identification | Back Directory | [Name]
4-BROMO-2-NITRO-1-(TRIFLUOROMETHYL)BENZENE | [CAS]
251115-21-6 | [Synonyms]
4-BroMo-2-nitro-1-(trifluoroMethyl)benzen
4-BROMO-2-NITRO-1-(TRIFLUOROMETHYL)BENZENE
Benzene, 4-bromo-2-nitro-1-(trifluoromethyl)-
4-Bromo-2-nitro-1-(trifluoromethyl)benzene, 5-Bromo-2-(trifluoromethyl)nitrobenzene | [Molecular Formula]
C7H3BrF3NO2 | [MDL Number]
MFCD11226284 | [MOL File]
251115-21-6.mol | [Molecular Weight]
270 |
| Chemical Properties | Back Directory | [Boiling point ]
269℃ | [density ]
1.788 | [Fp ]
116℃ | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
oil | [color ]
Yellow | [InChI]
InChI=1S/C7H3BrF3NO2/c8-4-1-2-5(7(9,10)11)6(3-4)12(13)14/h1-3H | [InChIKey]
WPDWGHAFCXNYDI-UHFFFAOYSA-N | [SMILES]
C1(C(F)(F)F)=CC=C(Br)C=C1[N+]([O-])=O |
| Hazard Information | Back Directory | [Synthesis]
To a solution of N-methylpyrrolidone (40 mL) in 2,5-dibromonitrobenzene (5 g, 17.8 mmol) was sequentially added methyl fluorosulfonyl difluoroacetate (4.5 mL, 35.6 mmol) and cuprous iodide (I). The reaction mixture was stirred in an oil bath at 80°C overnight. Upon completion of the reaction, activated carbon was added to decolorize the reaction solution, which was diluted with saturated saline and subsequently extracted with ethyl acetate (3 x 30 mL). The organic phases were combined, dried with anhydrous magnesium sulfate and concentrated under reduced pressure to remove the solvent. The crude product was purified by fast column chromatography (eluent: petroleum ether/ethyl acetate, gradient 0-100%) to give 4-bromo-2-nitrobenzotrifluoromethylbenzene (4.1 g, 85% yield) as a yellow oil. | [References]
[1] Patent: WO2010/91310, 2010, A1. Location in patent: Page/Page column 100
[2] Patent: WO2006/113432, 2006, A2. Location in patent: Page/Page column 67-68; 37
[3] Patent: US2007/142460, 2007, A1. Location in patent: Page/Page column 18 |
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