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CAS No. : | 326-90-9 | MDL No. : | MFCD00020935 |
Formula : | C8H5F3O3 | Boiling Point : | - |
Linear Structure Formula : | F3CCOCH2CO(C4OH3) | InChI Key : | OWLPCALGCHDBCN-UHFFFAOYSA-N |
M.W : | 206.12 | Pubchem ID : | 67594 |
Synonyms : |
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Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H315-H319 | Packing Group: | N/A |
GHS Pictogram: |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
27.3% | To a suspension of 6-bromonaphthalen-2-amine (14a) (2.6g. 11.71 inmol) in hydrogen chloride (7.02 mL, 84 mmol) was added a solution of sodium nitrite (0.969 g,14.05 mmol) in water (12 mL) at 0 0 C slowly. After stirring for I h, to this mixture wasadded tin(II) chloride dihydrate (5.28 g, 23.41 mmol) pre-dissolved in hydrogen chloride(7.02 mL, 84 mmol) at such a rate that the temperature was not allowed to exceed 5 0CAfter stirring for 2 h, a solution of 4,4,4-trifluoro-I-(furan-2-yl)butane-l,3-dione (lOb)(2.65 g, 12.88 mmol) in ethanol (24 mL) was added to the mixture and heated at 60 °Covernight. After cooling to room temperature, the reaction mixture was basified to pH 8using 10 N aqueous NaOH (15 rnL) and saturated NaHCO3. The reaction mixture was diluted with ethyl acetate and filtered through a pad of celite. The organic layer was separated and the aqueous layer was extracted with ethyl acetate (50 mL). The organic layers were combined dried, filtered and concentrated in vacuum to furnish crude residuewhich was purified by flash column chromatography (silica gel 12 g, eluting 0-100percent ethyl acetate in hexane) to afford 1 -(6- Bromonaphthalen-2-yl)-5-(furan-2-yl )-3-(tri fluoromethyl)lH-pyrazole (14b) (1.3 g, 3.19 mmol, 27.3 percent yield) as a semisolid; ?H NMR (300 MHz, DMSO-c16) 8.39 (d, J 2.0 Hz, lH), 8.22 (d, J 2.1 Hz, I H), 8.10 (d, .1 8.8 Hz, I H), 8.02 (d, J= 8.8 Hz, I H), 7.78 (dd, J = 8.8, 2.0 Hz, 1 H), 7.75 (dd, .1 1.8, 0.8 Hz, I H), 7.64(dd,.J= 8.8, 2.2 Hz, 11-1), 7.35 (s, 11-1), 6.53 (dd,.J 3.5, 1.8 Hz, 11-1), 6.32 (dd,.J= 3.5, 0.7 Hz, lH); ?9F NMR (300 MHz, DMSO-d6)oe ?60.85: MS (ES+) 406.9, 408.8 (M±l). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
85% | 0.25mmol of Cu(NO3)2·3H2O was added to 0.25mmol (37muL) of 4,4,4-trifluoro-1-(2-furyl)-1,3-butanedione (tfa) in acetonitrile (4mL). The solution was stirred for 4h at room temperature. Next, 0.25mmol (0.0540g) of 4,4-dimethoxy-2,2-bipyridine (dmb) previously dissolved in acetonitrile was added dropwise. This new mixture was stirred for another 24h. After some days at room temperature, a green precipitate was removed by filtration, washed with acetonitrile and dried under reduced pressure. (0007) MM: 573.92gmol-1. Yield: 85%. Anal. Calc. for (CuC20H16F3N3O8)1.5H2O: C, 41.85; H, 3.34; N, 7.32%. Found: C, 41.89; H, 2.91; N, 8.08%. ATR-FTIR, nu (cm-1): 3128, 3083, 1589, 1567, 1519, 1503, 1474, 1442, 1421, 1375, 1320, 1287, 1265, 1230, 1191, 1132, 1103, 1078, 1040, 955, 912, 879, 843, 835, 780, 687, 591, 578, 434. UV-Vis (methanol), lambdamax (epsilon)=228 (4.7×104M-1 cm-1), 287 (1.9×104M-1 cm-1), 298 (1.9×104M-1 cm-1), 341 (1.8×104M-1 cm-1), 354 (1.9×104M-1 cm-1), 626 (4.3×101M-1 cm-1), 639 (solid state) nm. LambdaM (methanol)=106.20 S cm2mol-1. |