[ CAS No. 2728-70-3 ] {[proInfo.proName]}

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Quality Control of [ 2728-70-3 ]

COA NMR CNMR HPLC LC-MS

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Product Details of [ 2728-70-3 ]

CAS No. :	2728-70-3	MDL No. :	MFCD28134183
Formula :	C₇H₄BrF₃O₂S	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	-
M.W :	289.07	Pubchem ID :	-
Synonyms :

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Application In Synthesis of [ 2728-70-3 ]

* 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.

Downstream synthetic route of [ 2728-70-3 ]

[ 2728-70-3 ] Synthesis Path-Downstream 1~24

1
[ 2728-70-3 ]
[ 1692-15-5 ]
[ 346688-65-1 ]

Yield	Reaction Conditions	Operation in experiment
60%	With tetrakis(triphenylphosphine) palladium(0); sodium carbonate; In ethanol; toluene; for 48.0h;Inert atmosphere; Reflux;	General procedure: 1-Bromo-3-[(trifluoromethyl)sulfonyl]-benzene (1.5 g, 5.2 mmol) was dissolved in toluene (30 ml) and absolute EtOH (30 ml) and 1-pyridyl-4-boronic acid (0.75 g, 5.72 mmol) and Na2CO3 (1.15 g, 13 mmol) was added. A stream of N2 ( g) was led through the solution and Pd(PPh3)4 (0.32 g, 0.26 mmol) was added. The mixture was refluxed 48 h, cooled to room temperature and diluted with water and EtOAc. The organic layer was collected and the aqueous phase was extracted with EtOAc (2 × 50 ml). The combined organic phase was concentrated in vacuo and re-dissolved in aqueous HCl (10%, 50 ml). The aqueous phase was washed with diethyl ether (2 × 40 ml), made basic with NaOH (2 M, ?40 ml) and extracted with EtOAC (2 × 50 ml). The combined organic phase was dried (MgSO4) and concentrated in vacuo to afford pure 6 (0.89 g, 60%). 1H NMR (300 MHz, CDCl3) delta 7.52-7.59 (m, 2H) 7.85 (t, J = 8.1 Hz, 1H) 8.11-8.16 (m, 2H) 8.29 (s, 1H) 8.74-8.79 (m, 2H).
	With tetrakis(triphenylphosphine) palladium(0); sodium carbonate; In ethanol; toluene; at 90.0℃; for 18.0h;	1-Bromo-3-trifluoromethylsulfonyl benzene (580 mg) and 4-pyridine-boronic acid (275 mg) was dissolved in toluene (5 ml) and abs EtOH (5 ml). To the mixture was then added Na2CO3 (424 mg) and Pd(PPh3)4 (119 mg) under an atmosphere of Argon. The resulting mixture was heated to 90 C. for 18 h. Then CH2Cl2 was added and the organic phase was washed with water and dried (MgSO4), filtered and evaporated to dryness. The residue was then used without any further purification. (MS m/z (rel. intensity, 70 eV) 287 (M+, 33), 218 (22), 154 (bp), 127 (56), 69 (27).

Reference： [1]European Journal of Medicinal Chemistry,2013,vol. 62,p. 241 - 255
[2]Patent: US2006/135531,2006,A1 .Location in patent: Page/Page column 14-15

2
[ 2728-70-3 ]
[ 21655-48-1 ]
[ 346684-61-5 ]

Yield	Reaction Conditions	Operation in experiment
		Preparation 6 cis-2,6-dimethyl-1-(3-trifluoromethane-sulfonyl-phenyl)-piperazine The titled compound was prepared in a similar manner as described in Example 1 from <strong>[2728-70-3]3-bromo-trifluoromethan-sulfonyl benzene</strong> and cis-2,6-dimethyl-piperazine. MS m/z (relative intensity, 70 eV) 322 (M+, 15), 253 (12), 252 (bp), 119. (27), 70 (40).

Reference： [1]Patent: US2003/109532,2003,A1

3
[ 2728-70-3 ]
[ 1430328-36-1 ]

Reference： [1]European Journal of Medicinal Chemistry,2013,vol. 62,p. 241 - 255

4
[ 2728-70-3 ]
[ 346688-54-8 ]

Reference： [1]European Journal of Medicinal Chemistry,2013,vol. 62,p. 241 - 255

5
[ 2252-45-1 ]
[ 2728-70-3 ]

Yield	Reaction Conditions	Operation in experiment
310 mg	With chromium(VI) oxide; sulfuric acid; In water; at 20℃; for 16h;	Chromium(VI) oxide (1.56 g, 15.6 mmol) was added to a mixture of <strong>[2252-45-1](3-bromophenyl)(trifluoromethyl)sulfane</strong> (1.56 g, 6.1 mmol), H2O (13 mL), and H2SO4 (8 mL). The resulting mixture was stirred at rt for 16 hours, poured into ice-water (200 mL), and extracted with EtOAc (3x50 mL). The combined organic layers were washed with saturated aqueous NaHCO3 (50 mL), washed with brine (50 mL), dried (Na2SO4), and concentrated in vacuo. The residue was purified by prep-HPLC to afford the title compound (310 mg). 1H NMR (400 MHz, DMSO-d6): oe 8.3 1-8.27 (m, 2H), 8.18 (d, 1H), 7.82 (t, 1H).

Reference： [1]Journal of Organic Chemistry,2017,vol. 82,p. 11915 - 11924
[2]Patent: WO2013/142266,2013,A1 .Location in patent: Paragraph 00527

6
[ 75-46-7 ]
[ 454-65-9 ]
[ 2728-70-3 ]

Yield	Reaction Conditions	Operation in experiment
50%	With tris(trimethylsilyl)amine; phosphazene base-P4-tert-butyl; In N,N-dimethyl-formamide; at 5℃; for 9.0h;Schlenk technique;	General procedure: To a Schlenk tube equipped with a stirrer, 4-biphenylsulfonyl fluoride (23.6 mg, 0.10 mmol) was added at room temperature,Tris (trimethylsilyl) amine (70.1 mg, 0.30 mmol, 1.5 equiv.) In DMF (0.50 mL) was charged,After cooling to 0 C.,P4-tBu base (37.5 muL, 0.030 mmol, 0.30 equiv.) Was added thereto.Trifluoromethane (excess) was then bubbled through for 1 minute After that, the reaction was carried out at the same temperature for 7 hours.After completion of the reaction, a saturated ammonium chloride aqueous solution was added,The organic layer was extracted with methylene chloride, the obtained organic layer was washed with a saturated sodium chloride aqueous solution,After drying over thorium, the solvent was distilled off under reduced pressure to obtain a crude product. The obtained crude product was purified by silica gel chromatography Purification by column chromatography gave 4- (trifluoromethylsulfonyl) biphenyl (3) as a target product in a yield of 84%.

Reference： [1]ChemistryOpen,2015,vol. 4,p. 581 - 585
[2]Patent: JP2016/204275,2016,A .Location in patent: Paragraph 0019-0020;0021-0023

7
[ 2728-70-3 ]
1-iodo-3-((trifluoromethyl)sulfonyl)benzene [ No CAS ]