1,2,5-Trifluoro-3-nitrobenzene
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1,2,5-Trifluoro-3-nitrobenzene
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CAS No:
66684-57-9
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Formula:
C6H2F3NO2
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Chemical Name:
1,2,5-Trifluoro-3-nitrobenzene
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Synonyms:
Benzene,1,2,5-trifluoro-3-nitro-;1,2,5-Trifluoro-3-nitrobenzene;2,3,5-Trifluoronitrobenzene
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CAS No:
1,2,5-Trifluoro-3-nitrobenzene Use and Manufacturing
The following Intermediate was prepared using the general method described for Intermediate H from the appropriate Intermediate (1/1/), 1 , 2, 5-trifluoro-3-nitrobenzene and potassium tert- butoxide (2 equivalents) instead of NaH as a base.Sodium hydride (60%, 55 mg, 1.4 mmol) was added to a solution of Intermediate B in DMF (2 ml_). After stirring at room temperature for 15 min, 1 , 2, 5-trifluoro-3-nitrobenzene (63 mI_, 0.56 mmol) was added, and stirring continued for 90 min. The reaction mixture was quenched cautiously with water, and extracted with EtOAc (x 3). The combined organic phases were washed with brine, dried (MgSCU) and concentrated in vacuo. The residue was purified by chromatography (S1O2, 0-50% EtOAc in PE) and the title compound was isolated as a yellow solid (129 mg, 70 %). 1H NMR dH (500 MHz, CDCh) 8.61 (s, 1 H), 7.66 - 7.61 (m, 1 H), 7.41 (dd, J = 8.3, 2.5 Hz, 1 H), 7.37 (dd, J = 8.5, 5.9 Hz, 1 H), 7.25 - 7.21 (m, 2H), 7.13 (br s, 1 H), 2.23 (s, 3H). (0279) LCMS (Method A): 3.17 min (395.3, MH+).Sodium hydride (60percent, 95 mg, 2.4 mmol) was added to a solution of Intermediate A (200 mg, 0.79 mmol) in DMF (5 mL). After stirring at room temperature for 25 mi
Computed Properties
Molecular Weight:177.08
XLogP3:2.1
Hydrogen Bond Acceptor Count:5
Exact Mass:177.00376279
Monoisotopic Mass:177.00376279
Topological Polar Surface Area:45.8
Heavy Atom Count:12
Complexity:184
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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