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[ CAS No. 1885-46-7 ] {[proInfo.proName]}

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Chemical Structure| 1885-46-7
Chemical Structure| 1885-46-7
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Product Details of [ 1885-46-7 ]

CAS No. :1885-46-7 MDL No. :MFCD28054469
Formula : C2HF5O3S Boiling Point : -
Linear Structure Formula :- InChI Key :DAANAKGWBDWGBQ-UHFFFAOYSA-N
M.W : 200.08 Pubchem ID :542802
Synonyms :

Safety of [ 1885-46-7 ]

Signal Word:Danger Class:8,3
Precautionary Statements:P210-P233-P240-P241-P242-P243-P264-P270-P280-P301+P312+P330-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338+P310-P363-P370+P378-P403+P235-P405-P501 UN#:2920
Hazard Statements:H225-H302-H314 Packing Group:Ⅱ
GHS Pictogram:

Application In Synthesis of [ 1885-46-7 ]

* 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 [ 1885-46-7 ]

[ 1885-46-7 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 1885-46-7 ]
  • [ 134-62-3 ]
  • [ 1454765-40-2 ]
YieldReaction ConditionsOperation in experiment
50% General procedure: [a] Reactions were performed on a 0.1 mmol scale to determine yields by 19F NMR spectroscopy with PI1CF3 as an internal standard added after the reaction. Isolated yields are shown in parenthesis for reactions performed on a 0.5 mmol scale. ; Note: The borylation reaction was set-up under an inert atmosphere. To an oven- dried 20 mL vial was added arene (0.5 mmol, 1.0 equiv), and 1.0 mL of a stock solution containing 0.5 mol % [Ir(COD)OMe]2, 1.0 mol % 4,4'-di-tert-butyl bipyridine (dtbpy), and 0.75 equiv of Beta2Rho. The vial was sealed with a Teflon-lined cap and heated at 80 C for 18 h. The solution was allowed to cool, and the volatile components were removed in vacuo. To the crude ArBPin was added acetonitrile (1.0 mL) and 30% aqueous hydrogen peroxide (500 muKappa). The reaction was stirred at room temperature for 15 minutes. After this time, 12M KOH (500 muKappa) was added carefully. Note: the addition of KOH causes rapid decomposition of the unreacted hydrogen peroxide. This reaction is exothermic, and gas is evolved. The resulting mixture was stirred rapidly at room temperature, and HCF2OTf (210 mu^, 1.5 mmol, 3.0 equiv) was added at once. Note: the reactions are exothermic. The mixture was stirred vigorously for 2 minutes. The reaction was diluted with 0 (8 mL) and extracted with ether (2 x 8 mL). The combined organic layers were dried over MgS04, concentrated, and purified by silica gel chromatography.; The reaction was performed according to the general procedure for the difluoromethoxylation of arenes on a 0.5 mmol scale. The product was purified by silica gel chromatography to give 8a as a white solid (64 mg, 50% yield). NMR (600 MHz, CDC13) delta 7.01 (s, 1H), 6.94 (s, 1H), 6.91 (s, 1H), 6.49 (t, J = 73.8 Hz, 1H), 3.52 (d, J= 5.6 Hz, 2H), 3.22 (d, J= 5.5 Hz, 2H), 2.36 (s, 3H), 1.23 (s, 3H), 1.10 (s, 3H). 13C NMR (151 MHz, CDC13) delta 169.99 (s), 150.94 (t, J= 2.7 Hz), 140.63 (s), 138.78 (s), 123.92 (s), 120.74 (s), 115.77 (t, J = 260.0 Hz), 114.34 (s), 43.23 (s), 39.25 (s), 21.27 (s), 14.10 (s), 12.79 (s). 19F NMR (376 MHz, CDC13) delta -83.16 (d, J = 73.8 Hz).
  • 2
  • [ 1885-46-7 ]
  • [ 149-30-4 ]
  • [ 943-08-8 ]
YieldReaction ConditionsOperation in experiment
87% With potassium hydroxide; In acetonitrile; for 0.0333333h; 2-Mercaptobenzothiazole (1.0 eq, 3.0 mmol, 0.5 g) was added to a solution of 6M KOH (6 mL) and MeCN (6 mL), afterwards difluoromethyl trifluoromethanesulfonate (3 eq, 9.0 mmol, 1.2 mL) was added to the mixture. The mixture was stirred for 2 min and was diluted with H2O (25 mL) and extracted with diethyl ether (3 x 10 mL). The organic phase was dried over Na2SO4 and concentrated in vacuo. Colourless solid (0.57 g, 2.6 mmol, 87 %). 1H NMR (400 MHz, Chloroform-d): d 8.01 (d, J = 8.2, 1H, HAr), 7.84 (d, J = 8.0, 1H, HAr), 7.65 (t, J = 56.3, 1H, CF2H), 7.49 (t, J = 8.0, 1H, HAr), 7.41 (t, J = 7.6, 1H).19F NMR (376 MHz, Chloroform-d): d -93.08 (d, J = 56). The Analytical data is in agreement to literature (Hu, Org. Lett.2010, 12, 1444-1447).
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